N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide

C14H20N2O — CID 43297876

IUPACN-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide
SMILESCC(NC(=O)C1CCCC1)c1ccccc1N
InChIInChI=1S/C14H20N2O/c1-10(12-8-4-5-9-13(12)15)16-14(17)11-6-2-3-7-11/h4-5,8-11H,2-3,6-7,15H2,1H3,(H,16,17)
InChIKeyPDPGRMDFUSTINK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.64
Rot. Bonds3

About N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide

N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide (PubChem CID 43297876) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide
PubChem CID43297876
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide
SMILESCC(NC(=O)C1CCCC1)c1ccccc1N
InChIInChI=1S/C14H20N2O/c1-10(12-8-4-5-9-13(12)15)16-14(17)11-6-2-3-7-11/h4-5,8-11H,2-3,6-7,15H2,1H3,(H,16,17)
InChIKeyPDPGRMDFUSTINK-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 43297869
1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea
CID 62699291
N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide
CID 43297755
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
N-[(R)-(2-aminophenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097076
N-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760
2-(cyclopentanecarbonylamino)-2-(2-methylphenyl)acetic acid
CID 82090476
3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea
CID 40601139
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
cis-(1S,3R)-3-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124552970
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide
CID 9262346

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide (CID 43297876) is N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide is CC(NC(=O)C1CCCC1)c1ccccc1N.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide?
The InChIKey is PDPGRMDFUSTINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(12-8-4-5-9-13(12)15)16-14(17)11-6-2-3-7-11/h4-5,8-11H,2-3,6-7,15H2,1H3,(H,16,17).
What are the key properties of N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide?
N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 43297876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).