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

C20H30N2O — CID 109014685

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
SMILESO=C(CCNCCCc1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C20H30N2O/c23-20(22-17-13-19-10-5-2-6-11-19)14-16-21-15-7-12-18-8-3-1-4-9-18/h1,3-4,8-10,21H,2,5-7,11-17H2,(H,22,23)
InChIKeyWQHXZCGXITXZHG-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.61
Rot. Bonds10

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

N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide (PubChem CID 109014685) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
PubChem CID109014685
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
SMILESO=C(CCNCCCc1ccccc1)NCCC1=CCCCC1
InChIInChI=1S/C20H30N2O/c23-20(22-17-13-19-10-5-2-6-11-19)14-16-21-15-7-12-18-8-3-1-4-9-18/h1,3-4,8-10,21H,2,5-7,11-17H2,(H,22,23)
InChIKeyWQHXZCGXITXZHG-UHFFFAOYSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 108993941
N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 109014814
3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109014834
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine
CID 114153908
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830
N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide
CID 110839487
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide
CID 109014767

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide (CID 109014685) is N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide is O=C(CCNCCCc1ccccc1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide?
The InChIKey is WQHXZCGXITXZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c23-20(22-17-13-19-10-5-2-6-11-19)14-16-21-15-7-12-18-8-3-1-4-9-18/h1,3-4,8-10,21H,2,5-7,11-17H2,(H,22,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide has a molecular weight of 314.47 g/mol, XLogP of 3.61, 10 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-(3-phenylpropylamino)propanamide is sourced from PubChem (CID 109014685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).