2,2-diethyl-N-methyloctadecanamide;3-(3-ethylicosan-3-yl)-1,2-dihydrotriazole;3-icosan-3-yl-1,2-dihydrotriazole;3-(3-methylicosan-3-yl)-1,2-dihydrotriazole;3-(2-methylnonadecan-2-yl)-1,2-dihydrotriazole;3-nonadecan-2-yl-1,2-dihydrotriazole;3-octadecyl-1,2-dihydrotriazole;3-octadecyl-2,4-dihydrotriazole

C175H358N22O — CID 157358496

IUPAC2,2-diethyl-N-methyloctadecanamide;3-(3-ethylicosan-3-yl)-1,2-dihydrotriazole;3-icosan-3-yl-1,2-dihydrotriazole;3-(3-methylicosan-3-yl)-1,2-dihydrotriazole;3-(2-methylnonadecan-2-yl)-1,2-dihydrotriazole;3-nonadecan-2-yl-1,2-dihydrotriazole;3-octadecyl-1,2-dihydrotriazole;3-octadecyl-2,4-dihydrotriazole
SMILESCCCCCCCCCCCCCCCCC(CC)(CC)C(=O)NC.CCCCCCCCCCCCCCCCCC(C)(C)N1C=CNN1.CCCCCCCCCCCCCCCCCC(C)(CC)N1C=CNN1.CCCCCCCCCCCCCCCCCC(C)N1C=CNN1.CCCCCCCCCCCCCCCCCC(CC)(CC)N1C=CNN1.CCCCCCCCCCCCCCCCCC(CC)N1C=CNN1.CCCCCCCCCCCCCCCCCCN1C=CNN1.CCCCCCCCCCCCCCCCCCN1CC=NN1
InChIInChI=1S/C24H49N3.C23H47N3.C23H47NO.2C22H45N3.C21H43N3.2C20H41N3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(5-2,6-3)27-23-22-25-26-27;1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(3,5-2)26-22-21-24-25-26;1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(6-2,7-3)22(25)24-4;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2,3)25-21-20-23-24-25;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(4-2)25-21-20-23-24-25;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2)24-20-19-22-23-24;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-21-22-23/h22-23,25-26H,4-21H2,1-3H3;21-22,24-25H,4-20H2,1-3H3;5-21H2,1-4H3,(H,24,25);20-21,23-24H,4-19H2,1-3H3;20-24H,3-19H2,1-2H3;19-23H,3-18H2,1-2H3;18,22H,2-17,19-20H2,1H3;18,20-22H,2-17,19H2,1H3
InChIKeyBIJBNHPSQWGRJS-UHFFFAOYSA-N
MW2786.94 g/mol
LogP54.40
Rot. Bonds141

About 2,2-diethyl-N-methyloctadecanamide;3-(3-ethylicosan-3-yl)-1,2-dihydrotriazole;3-icosan-3-yl-1,2-dihydrotriazole;3-(3-methylicosan-3-yl)-1,2-dihydrotriazole;3-(2-methylnonadecan-2-yl)-1,2-dihydrotriazole;3-nonadecan-2-yl-1,2-dihydrotriazole;3-octadecyl-1,2-dihydrotriazole;3-octadecyl-2,4-dihydrotriazole

2,2-diethyl-N-methyloctadecanamide;3-(3-ethylicosan-3-yl)-1,2-dihydrotriazole;3-icosan-3-yl-1,2-dihydrotriazole;3-(3-methylicosan-3-yl)-1,2-dihydrotriazole;3-(2-methylnonadecan-2-yl)-1,2-dihydrotriazole;3-nonadecan-2-yl-1,2-dihydrotriazole;3-octadecyl-1,2-dihydrotriazole;3-octadecyl-2,4-dihydrotriazole (PubChem CID 157358496) has the molecular formula C175H358N22O and a molecular weight of 2786.94 g/mol. Its IUPAC name is 2,2-diethyl-N-methyloctadecanamide;3-(3-ethylicosan-3-yl)-1,2-dihydrotriazole;3-icosan-3-yl-1,2-dihydrotriazole;3-(3-methylicosan-3-yl)-1,2-dihydrotriazole;3-(2-methylnonadecan-2-yl)-1,2-dihydrotriazole;3-nonadecan-2-yl-1,2-dihydrotriazole;3-octadecyl-1,2-dihydrotriazole;3-octadecyl-2,4-dihydrotriazole.

Molecular Properties

Compound Name2,2-diethyl-N-methyloctadecanamide;3-(3-ethylicosan-3-yl)-1,2-dihydrotriazole;3-icosan-3-yl-1,2-dihydrotriazole;3-(3-methylicosan-3-yl)-1,2-dihydrotriazole;3-(2-methylnonadecan-2-yl)-1,2-dihydrotriazole;3-nonadecan-2-yl-1,2-dihydrotriazole;3-octadecyl-1,2-dihydrotriazole;3-octadecyl-2,4-dihydrotriazole
PubChem CID157358496
Molecular FormulaC175H358N22O
Molecular Weight2786.94 g/mol
Exact Mass2784.86
IUPAC Name2,2-diethyl-N-methyloctadecanamide;3-(3-ethylicosan-3-yl)-1,2-dihydrotriazole;3-icosan-3-yl-1,2-dihydrotriazole;3-(3-methylicosan-3-yl)-1,2-dihydrotriazole;3-(2-methylnonadecan-2-yl)-1,2-dihydrotriazole;3-nonadecan-2-yl-1,2-dihydrotriazole;3-octadecyl-1,2-dihydrotriazole;3-octadecyl-2,4-dihydrotriazole
SMILESCCCCCCCCCCCCCCCCC(CC)(CC)C(=O)NC.CCCCCCCCCCCCCCCCCC(C)(C)N1C=CNN1.CCCCCCCCCCCCCCCCCC(C)(CC)N1C=CNN1.CCCCCCCCCCCCCCCCCC(C)N1C=CNN1.CCCCCCCCCCCCCCCCCC(CC)(CC)N1C=CNN1.CCCCCCCCCCCCCCCCCC(CC)N1C=CNN1.CCCCCCCCCCCCCCCCCCN1C=CNN1.CCCCCCCCCCCCCCCCCCN1CC=NN1
InChIInChI=1S/C24H49N3.C23H47N3.C23H47NO.2C22H45N3.C21H43N3.2C20H41N3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(5-2,6-3)27-23-22-25-26-27;1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(3,5-2)26-22-21-24-25-26;1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(6-2,7-3)22(25)24-4;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2,3)25-21-20-23-24-25;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(4-2)25-21-20-23-24-25;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2)24-20-19-22-23-24;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-21-22-23/h22-23,25-26H,4-21H2,1-3H3;21-22,24-25H,4-20H2,1-3H3;5-21H2,1-4H3,(H,24,25);20-21,23-24H,4-19H2,1-3H3;20-24H,3-19H2,1-2H3;19-23H,3-18H2,1-2H3;18,22H,2-17,19-20H2,1H3;18,20-22H,2-17,19H2,1H3
InChIKeyBIJBNHPSQWGRJS-UHFFFAOYSA-N
XLogP54.40
TPSA220.53 Ų
H-Bond Donors14
H-Bond Acceptors22
Rotatable Bonds141
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002786.94
LogP ≤ 554.40
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2-diethyl-N-methyloctadecanamide;3-(3-ethylicosan-3-yl)-1,2-dihydrotriazole;3-icosan-3-yl-1,2-dihydrotriazole;3-(3-methylicosan-3-yl)-1,2-dihydrotriazole;3-(2-methylnonadecan-2-yl)-1,2-dihydrotriazole;3-nonadecan-2-yl-1,2-dihydrotriazole;3-octadecyl-1,2-dihydrotriazole;3-octadecyl-2,4-dihydrotriazole with MolForge

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Related Compounds

1-(3-ethylhexadecan-3-yl)-2,5-dihydrotetrazole;1-hexadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylhexadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylpentadecan-2-yl)-2,5-dihydrotetrazole;1-pentadecan-2-yl-2,5-dihydrotetrazole;1-tetradecyl-2,5-dihydrotetrazole
CID 159102652
2,2-diethyl-N-methylhexadecanamide
CID 158971138
2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid
CID 159447276
1-(3-methyltridecan-3-yl)-2,3-dihydrotetrazole
CID 155688243
2,2-diethyl-N-hydroxypentadecanamide
CID 138558527
1-(3-ethylhexadecan-3-yl)tetrazole;1-hexadecan-3-yltetrazole;1-(3-methylhexadecan-3-yl)tetrazole;1-(2-methylpentadecan-2-yl)tetrazole;1-pentadecan-2-yltetrazole;5-tetradecyl-2H-tetrazole
CID 161142516
1-(3-ethylicosan-3-yl)-2,3-dihydrotetrazole
CID 138558390
N-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride
CID 175966813
N,2,2-trimethyloctadecanamide
CID 158817445
3-ethyl-2-methyl-2-(5-methylhexyl)decanoic acid
CID 151889594
2-amino-N-heptan-2-yl-2-methylpropanamide
CID 61264408
2-ethyl-N-methyltetradecanamide
CID 161072731

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-methyloctadecanamide;3-(3-ethylicosan-3-yl)-1,2-dihydrotriazole;3-icosan-3-yl-1,2-dihydrotriazole;3-(3-methylicosan-3-yl)-1,2-dihydrotriazole;3-(2-methylnonadecan-2-yl)-1,2-dihydrotriazole;3-nonadecan-2-yl-1,2-dihydrotriazole;3-octadecyl-1,2-dihydrotriazole;3-octadecyl-2,4-dihydrotriazole?
The IUPAC name of 2,2-diethyl-N-methyloctadecanamide;3-(3-ethylicosan-3-yl)-1,2-dihydrotriazole;3-icosan-3-yl-1,2-dihydrotriazole;3-(3-methylicosan-3-yl)-1,2-dihydrotriazole;3-(2-methylnonadecan-2-yl)-1,2-dihydrotriazole;3-nonadecan-2-yl-1,2-dihydrotriazole;3-octadecyl-1,2-dihydrotriazole;3-octadecyl-2,4-dihydrotriazole (CID 157358496) is 2,2-diethyl-N-methyloctadecanamide;3-(3-ethylicosan-3-yl)-1,2-dihydrotriazole;3-icosan-3-yl-1,2-dihydrotriazole;3-(3-methylicosan-3-yl)-1,2-dihydrotriazole;3-(2-methylnonadecan-2-yl)-1,2-dihydrotriazole;3-nonadecan-2-yl-1,2-dihydrotriazole;3-octadecyl-1,2-dihydrotriazole;3-octadecyl-2,4-dihydrotriazole.
What is the SMILES notation for 2,2-diethyl-N-methyloctadecanamide;3-(3-ethylicosan-3-yl)-1,2-dihydrotriazole;3-icosan-3-yl-1,2-dihydrotriazole;3-(3-methylicosan-3-yl)-1,2-dihydrotriazole;3-(2-methylnonadecan-2-yl)-1,2-dihydrotriazole;3-nonadecan-2-yl-1,2-dihydrotriazole;3-octadecyl-1,2-dihydrotriazole;3-octadecyl-2,4-dihydrotriazole?
The canonical SMILES for 2,2-diethyl-N-methyloctadecanamide;3-(3-ethylicosan-3-yl)-1,2-dihydrotriazole;3-icosan-3-yl-1,2-dihydrotriazole;3-(3-methylicosan-3-yl)-1,2-dihydrotriazole;3-(2-methylnonadecan-2-yl)-1,2-dihydrotriazole;3-nonadecan-2-yl-1,2-dihydrotriazole;3-octadecyl-1,2-dihydrotriazole;3-octadecyl-2,4-dihydrotriazole is CCCCCCCCCCCCCCCCC(CC)(CC)C(=O)NC.CCCCCCCCCCCCCCCCCC(C)(C)N1C=CNN1.CCCCCCCCCCCCCCCCCC(C)(CC)N1C=CNN1.CCCCCCCCCCCCCCCCCC(C)N1C=CNN1.CCCCCCCCCCCCCCCCCC(CC)(CC)N1C=CNN1.CCCCCCCCCCCCCCCCCC(CC)N1C=CNN1.CCCCCCCCCCCCCCCCCCN1C=CNN1.CCCCCCCCCCCCCCCCCCN1CC=NN1.
What is the InChIKey of 2,2-diethyl-N-methyloctadecanamide;3-(3-ethylicosan-3-yl)-1,2-dihydrotriazole;3-icosan-3-yl-1,2-dihydrotriazole;3-(3-methylicosan-3-yl)-1,2-dihydrotriazole;3-(2-methylnonadecan-2-yl)-1,2-dihydrotriazole;3-nonadecan-2-yl-1,2-dihydrotriazole;3-octadecyl-1,2-dihydrotriazole;3-octadecyl-2,4-dihydrotriazole?
The InChIKey is BIJBNHPSQWGRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N3.C23H47N3.C23H47NO.2C22H45N3.C21H43N3.2C20H41N3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(5-2,6-3)27-23-22-25-26-27;1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(3,5-2)26-22-21-24-25-26;1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(6-2,7-3)22(25)24-4;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2,3)25-21-20-23-24-25;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(4-2)25-21-20-23-24-25;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2)24-20-19-22-23-24;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-21-22-23/h22-23,25-26H,4-21H2,1-3H3;21-22,24-25H,4-20H2,1-3H3;5-21H2,1-4H3,(H,24,25);20-21,23-24H,4-19H2,1-3H3;20-24H,3-19H2,1-2H3;19-23H,3-18H2,1-2H3;18,22H,2-17,19-20H2,1H3;18,20-22H,2-17,19H2,1H3.
What are the key properties of 2,2-diethyl-N-methyloctadecanamide;3-(3-ethylicosan-3-yl)-1,2-dihydrotriazole;3-icosan-3-yl-1,2-dihydrotriazole;3-(3-methylicosan-3-yl)-1,2-dihydrotriazole;3-(2-methylnonadecan-2-yl)-1,2-dihydrotriazole;3-nonadecan-2-yl-1,2-dihydrotriazole;3-octadecyl-1,2-dihydrotriazole;3-octadecyl-2,4-dihydrotriazole?
2,2-diethyl-N-methyloctadecanamide;3-(3-ethylicosan-3-yl)-1,2-dihydrotriazole;3-icosan-3-yl-1,2-dihydrotriazole;3-(3-methylicosan-3-yl)-1,2-dihydrotriazole;3-(2-methylnonadecan-2-yl)-1,2-dihydrotriazole;3-nonadecan-2-yl-1,2-dihydrotriazole;3-octadecyl-1,2-dihydrotriazole;3-octadecyl-2,4-dihydrotriazole has a molecular weight of 2786.94 g/mol, XLogP of 54.40, 141 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-methyloctadecanamide;3-(3-ethylicosan-3-yl)-1,2-dihydrotriazole;3-icosan-3-yl-1,2-dihydrotriazole;3-(3-methylicosan-3-yl)-1,2-dihydrotriazole;3-(2-methylnonadecan-2-yl)-1,2-dihydrotriazole;3-nonadecan-2-yl-1,2-dihydrotriazole;3-octadecyl-1,2-dihydrotriazole;3-octadecyl-2,4-dihydrotriazole is sourced from PubChem (CID 157358496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).