N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide

C19H22N2O — CID 141090307

IUPACN-(2-aminophenyl)-N-benzylcyclopentanecarboxamide
SMILESNc1ccccc1N(Cc1ccccc1)C(=O)C1CCCC1
InChIInChI=1S/C19H22N2O/c20-17-12-6-7-13-18(17)21(14-15-8-2-1-3-9-15)19(22)16-10-4-5-11-16/h1-3,6-9,12-13,16H,4-5,10-11,14,20H2
InChIKeyLSNMSKIYMFJWDN-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.99
Rot. Bonds4

About N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide

N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide (PubChem CID 141090307) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-benzylcyclopentanecarboxamide
PubChem CID141090307
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-(2-aminophenyl)-N-benzylcyclopentanecarboxamide
SMILESNc1ccccc1N(Cc1ccccc1)C(=O)C1CCCC1
InChIInChI=1S/C19H22N2O/c20-17-12-6-7-13-18(17)21(14-15-8-2-1-3-9-15)19(22)16-10-4-5-11-16/h1-3,6-9,12-13,16H,4-5,10-11,14,20H2
InChIKeyLSNMSKIYMFJWDN-UHFFFAOYSA-N
XLogP3.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 63118253
N-benzylcyclopentanecarbohydrazide
CID 141018237
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
2-N,2-N-dibenzylbenzene-1,2-diamine
CID 23459358
1-cyclohexyl-2-(dibenzylamino)ethanone
CID 130167125
N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46056563
N-benzyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]cyclopentanecarboxamide
CID 42859326
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-[(6-cyclohexyl-3-pyridinyl)methyl]-N-(2-fluorophenyl)cyclobutanecarboxamide
CID 167701360
3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid
CID 63118458

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide?
The IUPAC name of N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide (CID 141090307) is N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide.
What is the SMILES notation for N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide?
The canonical SMILES for N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide is Nc1ccccc1N(Cc1ccccc1)C(=O)C1CCCC1.
What is the InChIKey of N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide?
The InChIKey is LSNMSKIYMFJWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c20-17-12-6-7-13-18(17)21(14-15-8-2-1-3-9-15)19(22)16-10-4-5-11-16/h1-3,6-9,12-13,16H,4-5,10-11,14,20H2.
What are the key properties of N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide?
N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide has a molecular weight of 294.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide is sourced from PubChem (CID 141090307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).