N-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide

C17H26N2O — CID 43549235

IUPACN-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide
SMILESCC(c1cccc(N)c1)N(C)C(=O)CCC1CCCC1
InChIInChI=1S/C17H26N2O/c1-13(15-8-5-9-16(18)12-15)19(2)17(20)11-10-14-6-3-4-7-14/h5,8-9,12-14H,3-4,6-7,10-11,18H2,1-2H3
InChIKeyJDHGJAXUZDCEQN-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.76
Rot. Bonds5

About N-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide

N-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide (PubChem CID 43549235) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide
PubChem CID43549235
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide
SMILESCC(c1cccc(N)c1)N(C)C(=O)CCC1CCCC1
InChIInChI=1S/C17H26N2O/c1-13(15-8-5-9-16(18)12-15)19(2)17(20)11-10-14-6-3-4-7-14/h5,8-9,12-14H,3-4,6-7,10-11,18H2,1-2H3
InChIKeyJDHGJAXUZDCEQN-UHFFFAOYSA-N
XLogP3.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.76
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

N-[1-(3-aminophenyl)ethyl]-2-cycloheptyl-N-methylacetamide
CID 114457037
3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline
CID 63632090
N-[1-(3-aminophenyl)ethyl]-4-methoxy-N-methylbutanamide
CID 78984491
N-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide
CID 61278164
N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide
CID 43549185
N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide
CID 63229916
2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide
CID 106006314
methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate
CID 43551139
N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide
CID 43458114
3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 115160809
2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107396898
1-[1-(3-aminophenyl)ethyl]-3-butyl-1-methylurea
CID 43551136

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide (CID 43549235) is N-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide is CC(c1cccc(N)c1)N(C)C(=O)CCC1CCCC1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide?
The InChIKey is JDHGJAXUZDCEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(15-8-5-9-16(18)12-15)19(2)17(20)11-10-14-6-3-4-7-14/h5,8-9,12-14H,3-4,6-7,10-11,18H2,1-2H3.
What are the key properties of N-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide?
N-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide is sourced from PubChem (CID 43549235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).