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

C19H28N2O2 — CID 109014741

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide
SMILESCCOc1ccc(NCCC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H28N2O2/c1-2-23-18-10-8-17(9-11-18)20-15-13-19(22)21-14-12-16-6-4-3-5-7-16/h6,8-11,20H,2-5,7,12-15H2,1H3,(H,21,22)
InChIKeySGCNMJCNFUHISZ-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.89
Rot. Bonds9

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

N-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide (PubChem CID 109014741) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide
PubChem CID109014741
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide
SMILESCCOc1ccc(NCCC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H28N2O2/c1-2-23-18-10-8-17(9-11-18)20-15-13-19(22)21-14-12-16-6-4-3-5-7-16/h6,8-11,20H,2-5,7,12-15H2,1H3,(H,21,22)
InChIKeySGCNMJCNFUHISZ-UHFFFAOYSA-N
XLogP3.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.89
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-phenylmethoxyanilino)propanamide
CID 109014767
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729
2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 18225951
N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 51366084
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]butanediamide
CID 5108050
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 126415843
N-[1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55329551
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 109014720
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109299417
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109166702

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide (CID 109014741) is N-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide is CCOc1ccc(NCCC(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide?
The InChIKey is SGCNMJCNFUHISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-23-18-10-8-17(9-11-18)20-15-13-19(22)21-14-12-16-6-4-3-5-7-16/h6,8-11,20H,2-5,7,12-15H2,1H3,(H,21,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide has a molecular weight of 316.45 g/mol, XLogP of 3.89, 9 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-ethoxyanilino)propanamide is sourced from PubChem (CID 109014741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).