4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide

C14H18N2O — CID 79210742

IUPAC4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide
SMILESCC(NC(=O)C1C=CC(N)C1)c1ccccc1
InChIInChI=1S/C14H18N2O/c1-10(11-5-3-2-4-6-11)16-14(17)12-7-8-13(15)9-12/h2-8,10,12-13H,9,15H2,1H3,(H,16,17)
InChIKeyNNUXGPMLLYIVKM-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.77
Rot. Bonds3

About 4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79210742) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79210742
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide
SMILESCC(NC(=O)C1C=CC(N)C1)c1ccccc1
InChIInChI=1S/C14H18N2O/c1-10(11-5-3-2-4-6-11)16-14(17)12-7-8-13(15)9-12/h2-8,10,12-13H,9,15H2,1H3,(H,16,17)
InChIKeyNNUXGPMLLYIVKM-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.77
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

4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210630
4-amino-N-[(1R)-1-pyridin-4-ylethyl]cyclopent-2-ene-1-carboxamide
CID 81410168
4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide
CID 79210601
(2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid
CID 104898564
4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide
CID 81397672
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid
CID 79207585
4-amino-N-[phenyl(thiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79209714
4-amino-N-(2-propan-2-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211306
(1R,2R,3R,4S)-2-N,3-N-bis(1-phenylethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 101191099
3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119669695
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide
CID 107863124
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide (CID 79210742) is 4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide is CC(NC(=O)C1C=CC(N)C1)c1ccccc1.
What is the InChIKey of 4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is NNUXGPMLLYIVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(11-5-3-2-4-6-11)16-14(17)12-7-8-13(15)9-12/h2-8,10,12-13H,9,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).