N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide

C24H30N2O2 — CID 109014767

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide
SMILESO=C(CCNc1ccc(OCc2ccccc2)cc1)NCCC1=CCCCC1
InChIInChI=1S/C24H30N2O2/c27-24(26-17-15-20-7-3-1-4-8-20)16-18-25-22-11-13-23(14-12-22)28-19-21-9-5-2-6-10-21/h2,5-7,9-14,25H,1,3-4,8,15-19H2,(H,26,27)
InChIKeyLOWKGYWOGRIMCX-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.07
Rot. Bonds10

About N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide (PubChem CID 109014767) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide
PubChem CID109014767
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide
SMILESO=C(CCNc1ccc(OCc2ccccc2)cc1)NCCC1=CCCCC1
InChIInChI=1S/C24H30N2O2/c27-24(26-17-15-20-7-3-1-4-8-20)16-18-25-22-11-13-23(14-12-22)28-19-21-9-5-2-6-10-21/h2,5-7,9-14,25H,1,3-4,8,15-19H2,(H,26,27)
InChIKeyLOWKGYWOGRIMCX-UHFFFAOYSA-N
XLogP5.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide
CID 109014741
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide
CID 5026304
2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 18225951
N-butyl-3-(4-phenylmethoxyanilino)propanamide
CID 109012323
N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide
CID 109015111
N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
CID 109014685
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
3-(4-phenylmethoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023893
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 109014720
3-(4-phenylmethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023273
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide (CID 109014767) is N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide is O=C(CCNc1ccc(OCc2ccccc2)cc1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide?
The InChIKey is LOWKGYWOGRIMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-24(26-17-15-20-7-3-1-4-8-20)16-18-25-22-11-13-23(14-12-22)28-19-21-9-5-2-6-10-21/h2,5-7,9-14,25H,1,3-4,8,15-19H2,(H,26,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide has a molecular weight of 378.52 g/mol, XLogP of 5.07, 10 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]-3-(4-phenylmethoxyanilino)propanamide is sourced from PubChem (CID 109014767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).