4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide

C15H20N2O — CID 79210630

IUPAC4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2C=CC(N)C2)cc1
InChIInChI=1S/C15H20N2O/c1-10-3-5-12(6-4-10)11(2)17-15(18)13-7-8-14(16)9-13/h3-8,11,13-14H,9,16H2,1-2H3,(H,17,18)
InChIKeyJRVJIHCHWMDROB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.08
Rot. Bonds3

About 4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79210630) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide
PubChem CID79210630
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2C=CC(N)C2)cc1
InChIInChI=1S/C15H20N2O/c1-10-3-5-12(6-4-10)11(2)17-15(18)13-7-8-14(16)9-13/h3-8,11,13-14H,9,16H2,1-2H3,(H,17,18)
InChIKeyJRVJIHCHWMDROB-UHFFFAOYSA-N
XLogP2.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.08
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

4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide
CID 79210742
4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide
CID 79210601
4-amino-N-[(1R)-1-pyridin-4-ylethyl]cyclopent-2-ene-1-carboxamide
CID 81410168
4-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopent-2-ene-1-carboxamide
CID 79207589
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide
CID 79211583
3-amino-N-[1-(4-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119705788
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
2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974742
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]cycloheptane-1-carboxamide
CID 81355949
4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide
CID 79207526
(2S)-2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-2-phenylacetic acid
CID 104898564

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide (CID 79210630) is 4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide is Cc1ccc(C(C)NC(=O)C2C=CC(N)C2)cc1.
What is the InChIKey of 4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is JRVJIHCHWMDROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-3-5-12(6-4-10)11(2)17-15(18)13-7-8-14(16)9-13/h3-8,11,13-14H,9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 2.08, 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-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).