N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide

C28H49N3O2 — CID 67352086

IUPACN-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)Nc1ccc(C)c(NC(=O)CN(CC)CC)c1C
InChIInChI=1S/C28H49N3O2/c1-6-9-10-11-12-13-14-15-16-17-18-19-26(32)29-25-21-20-23(4)28(24(25)5)30-27(33)22-31(7-2)8-3/h20-21H,6-19,22H2,1-5H3,(H,29,32)(H,30,33)
InChIKeyCOPKPELDPUXZMB-UHFFFAOYSA-N
MW459.72 g/mol
LogP7.22
Rot. Bonds18

About N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide

N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide (PubChem CID 67352086) has the molecular formula C28H49N3O2 and a molecular weight of 459.72 g/mol. Its IUPAC name is N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide.

Molecular Properties

Compound NameN-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide
PubChem CID67352086
Molecular FormulaC28H49N3O2
Molecular Weight459.72 g/mol
Exact Mass459.38
IUPAC NameN-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)Nc1ccc(C)c(NC(=O)CN(CC)CC)c1C
InChIInChI=1S/C28H49N3O2/c1-6-9-10-11-12-13-14-15-16-17-18-19-26(32)29-25-21-20-23(4)28(24(25)5)30-27(33)22-31(7-2)8-3/h20-21H,6-19,22H2,1-5H3,(H,29,32)(H,30,33)
InChIKeyCOPKPELDPUXZMB-UHFFFAOYSA-N
XLogP7.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.72
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,6-dimethylphenyl)decanamide
CID 65448531
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
2-(diethylamino)-N-[2,6-dimethyl-3-(2-phenylethylamino)phenyl]acetamide
CID 91070508
2-[ethyl-[2-(3-hydroxy-2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-hydroxy-2,6-dimethylphenyl)acetamide
CID 170903365
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
2-(diethylamino)-N-[2,6-dimethyl-3-[[(1S)-1-phenylethyl]carbamoylamino]phenyl]acetamide
CID 143018137
2-(diethylamino)-N-[2,6-dimethyl-3-(1-phenylethylcarbamoylamino)phenyl]acetamide
CID 91128420
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
N-[4-[4-(heptanoylamino)-3-methylphenyl]-2-methylphenyl]heptanamide
CID 4180295

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide?
The IUPAC name of N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide (CID 67352086) is N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide.
What is the SMILES notation for N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide?
The canonical SMILES for N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide is CCCCCCCCCCCCCC(=O)Nc1ccc(C)c(NC(=O)CN(CC)CC)c1C.
What is the InChIKey of N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide?
The InChIKey is COPKPELDPUXZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H49N3O2/c1-6-9-10-11-12-13-14-15-16-17-18-19-26(32)29-25-21-20-23(4)28(24(25)5)30-27(33)22-31(7-2)8-3/h20-21H,6-19,22H2,1-5H3,(H,29,32)(H,30,33).
What are the key properties of N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide?
N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide has a molecular weight of 459.72 g/mol, XLogP of 7.22, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide is sourced from PubChem (CID 67352086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).