N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide

C21H31N3O3 — CID 18087843

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)NCCC1=CCCCC1)CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C21H31N3O3/c1-3-24(15-20(25)22-14-13-17-7-5-4-6-8-17)16-21(26)23-18-9-11-19(27-2)12-10-18/h7,9-12H,3-6,8,13-16H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyWEMZFUCVIVOCGU-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.96
Rot. Bonds10

About N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide (PubChem CID 18087843) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide
PubChem CID18087843
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)NCCC1=CCCCC1)CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C21H31N3O3/c1-3-24(15-20(25)22-14-13-17-7-5-4-6-8-17)16-21(26)23-18-9-11-19(27-2)12-10-18/h7,9-12H,3-6,8,13-16H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyWEMZFUCVIVOCGU-UHFFFAOYSA-N
XLogP2.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132849
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]propanediamide
CID 108942894
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]butanediamide
CID 5108050
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44998295
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,4-dimethoxyphenyl)propanediamide
CID 108942996
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113121461
N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592880
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 925253
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 2175307
N-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18087872
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713905
N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 8810032

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide (CID 18087843) is N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide is CCN(CC(=O)NCCC1=CCCCC1)CC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is WEMZFUCVIVOCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-3-24(15-20(25)22-14-13-17-7-5-4-6-8-17)16-21(26)23-18-9-11-19(27-2)12-10-18/h7,9-12H,3-6,8,13-16H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 373.50 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 18087843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).