N-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide

C23H36N2O2 — CID 54829291

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide
SMILESCCCCCCCOc1cccc(NCC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C23H36N2O2/c1-2-3-4-5-9-17-27-22-14-10-13-21(18-22)25-19-23(26)24-16-15-20-11-7-6-8-12-20/h10-11,13-14,18,25H,2-9,12,15-17,19H2,1H3,(H,24,26)
InChIKeyCFQCTFIWLREWKX-UHFFFAOYSA-N
MW372.55 g/mol
LogP5.45
Rot. Bonds13

About N-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide (PubChem CID 54829291) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide
PubChem CID54829291
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide
SMILESCCCCCCCOc1cccc(NCC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C23H36N2O2/c1-2-3-4-5-9-17-27-22-14-10-13-21(18-22)25-19-23(26)24-16-15-20-11-7-6-8-12-20/h10-11,13-14,18,25H,2-9,12,15-17,19H2,1H3,(H,24,26)
InChIKeyCFQCTFIWLREWKX-UHFFFAOYSA-N
XLogP5.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(3-heptoxyanilino)acetamide
CID 54829186
3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841270
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54835510
N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-2-ylamino)acetamide
CID 31665923
N-tert-butyl-2-(3-heptoxyanilino)acetamide
CID 54829073
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839268
3-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845679
2-[3-(2-phenoxyethoxy)anilino]-N-propylacetamide
CID 54825848
3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837486
N-butan-2-yl-2-(3-hexoxyanilino)acetamide
CID 54823184
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide (CID 54829291) is N-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide is CCCCCCCOc1cccc(NCC(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide?
The InChIKey is CFQCTFIWLREWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-2-3-4-5-9-17-27-22-14-10-13-21(18-22)25-19-23(26)24-16-15-20-11-7-6-8-12-20/h10-11,13-14,18,25H,2-9,12,15-17,19H2,1H3,(H,24,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide has a molecular weight of 372.55 g/mol, XLogP of 5.45, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide is sourced from PubChem (CID 54829291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).