N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide

C16H24N2O — CID 63229916

IUPACN-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide
SMILESCCN(C(=O)CCC1CCCC1)c1cccc(N)c1
InChIInChI=1S/C16H24N2O/c1-2-18(15-9-5-8-14(17)12-15)16(19)11-10-13-6-3-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11,17H2,1H3
InChIKeyDORYUVBGFGMYLS-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.59
Rot. Bonds5

About N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide

N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide (PubChem CID 63229916) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide
PubChem CID63229916
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide
SMILESCCN(C(=O)CCC1CCCC1)c1cccc(N)c1
InChIInChI=1S/C16H24N2O/c1-2-18(15-9-5-8-14(17)12-15)16(19)11-10-13-6-3-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11,17H2,1H3
InChIKeyDORYUVBGFGMYLS-UHFFFAOYSA-N
XLogP3.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.59
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-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide
CID 63229837
N-(3-aminophenyl)-N-ethyldecanamide
CID 65448348
N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62212377
N-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide
CID 65157552
N-[1-(3-aminophenyl)ethyl]-3-cyclopentyl-N-methylpropanamide
CID 43549235
N-ethyl-N-(3-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62212541
N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide
CID 63229908
N-(3-aminophenyl)-N-propylcyclohexanecarboxamide
CID 63229982
N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide
CID 63229707
N-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide
CID 107736146
N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide
CID 43458719
N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106826094

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide?
The IUPAC name of N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide (CID 63229916) is N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide?
The canonical SMILES for N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide is CCN(C(=O)CCC1CCCC1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide?
The InChIKey is DORYUVBGFGMYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-18(15-9-5-8-14(17)12-15)16(19)11-10-13-6-3-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11,17H2,1H3.
What are the key properties of N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide?
N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide is sourced from PubChem (CID 63229916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).