4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide

C17H24N2O — CID 106175165

IUPAC4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide
SMILESNC(CCC(=O)NCCC1=CCCC1)c1ccccc1
InChIInChI=1S/C17H24N2O/c18-16(15-8-2-1-3-9-15)10-11-17(20)19-13-12-14-6-4-5-7-14/h1-3,6,8-9,16H,4-5,7,10-13,18H2,(H,19,20)
InChIKeyFSPQQTNIORFPDO-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.08
Rot. Bonds7

About 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide

4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide (PubChem CID 106175165) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide
PubChem CID106175165
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide
SMILESNC(CCC(=O)NCCC1=CCCC1)c1ccccc1
InChIInChI=1S/C17H24N2O/c18-16(15-8-2-1-3-9-15)10-11-17(20)19-13-12-14-6-4-5-7-14/h1-3,6,8-9,16H,4-5,7,10-13,18H2,(H,19,20)
InChIKeyFSPQQTNIORFPDO-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.08
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

N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
3-(cyclohexen-1-yl)-1-phenylpropan-1-amine
CID 173292845
N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112991069
4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
CID 63323993
6-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-ethylhexanamide
CID 106175300
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
CID 106173068
4-(2-aminoethyl)-N-[2-(cyclopenten-1-yl)ethyl]-5,5-dimethylhexanamide
CID 106175448
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
4-amino-4-phenyl-N-prop-2-enylbutanamide
CID 63323887
N-(3-amino-3-phenylpropyl)-3-phenylpropanamide
CID 80505663
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide?
The IUPAC name of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide (CID 106175165) is 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide is NC(CCC(=O)NCCC1=CCCC1)c1ccccc1.
What is the InChIKey of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide?
The InChIKey is FSPQQTNIORFPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-16(15-8-2-1-3-9-15)10-11-17(20)19-13-12-14-6-4-5-7-14/h1-3,6,8-9,16H,4-5,7,10-13,18H2,(H,19,20).
What are the key properties of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide?
4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide has a molecular weight of 272.39 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutanamide is sourced from PubChem (CID 106175165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).