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

C19H28N2O — CID 109014640

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
SMILESCC(NCCC(=O)NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C19H28N2O/c1-16(18-10-6-3-7-11-18)20-15-13-19(22)21-14-12-17-8-4-2-5-9-17/h3,6-8,10-11,16,20H,2,4-5,9,12-15H2,1H3,(H,21,22)
InChIKeyUQYIKPHPTGGHGC-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.73
Rot. Bonds8

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

N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide (PubChem CID 109014640) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
PubChem CID109014640
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
SMILESCC(NCCC(=O)NCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C19H28N2O/c1-16(18-10-6-3-7-11-18)20-15-13-19(22)21-14-12-17-8-4-2-5-9-17/h3,6-8,10-11,16,20H,2,4-5,9,12-15H2,1H3,(H,21,22)
InChIKeyUQYIKPHPTGGHGC-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine;hydrobromide
CID 167864484
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide
CID 106175165
N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112991069
N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
CID 109014685
N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152784
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112779715
3-(2-tert-butylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 109014720
N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide
CID 109014714
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid
CID 47006554

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide (CID 109014640) is N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide is CC(NCCC(=O)NCCC1=CCCCC1)c1ccccc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide?
The InChIKey is UQYIKPHPTGGHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-16(18-10-6-3-7-11-18)20-15-13-19(22)21-14-12-17-8-4-2-5-9-17/h3,6-8,10-11,16,20H,2,4-5,9,12-15H2,1H3,(H,21,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide has a molecular weight of 300.45 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide is sourced from PubChem (CID 109014640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).