N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide

C16H24N2O — CID 43458114

IUPACN-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide
SMILESCN(Cc1ccc(N)cc1)C(=O)CCC1CCCC1
InChIInChI=1S/C16H24N2O/c1-18(12-14-6-9-15(17)10-7-14)16(19)11-8-13-4-2-3-5-13/h6-7,9-10,13H,2-5,8,11-12,17H2,1H3
InChIKeyMLCPNBMUAJSBQD-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.20
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide

N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide (PubChem CID 43458114) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide
PubChem CID43458114
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide
SMILESCN(Cc1ccc(N)cc1)C(=O)CCC1CCCC1
InChIInChI=1S/C16H24N2O/c1-18(12-14-6-9-15(17)10-7-14)16(19)11-8-13-4-2-3-5-13/h6-7,9-10,13H,2-5,8,11-12,17H2,1H3
InChIKeyMLCPNBMUAJSBQD-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide
CID 43458719
N-[[4-(aminomethyl)phenyl]methyl]-2-cycloheptyl-N-methylacetamide
CID 114456974
N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide
CID 62589156
N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601790
N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide
CID 86879903
N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
CID 62211595
1-[(4-aminophenyl)methyl]-3-cyclopropyl-1-methylurea
CID 62699468
3-cyclopentyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51077919
N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide
CID 103161534
4-amino-N-(2-cyclobutylethyl)-N-methylbenzamide
CID 115161061
N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97268661
3-cyclohexyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpropanamide
CID 112790503

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide (CID 43458114) is N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide is CN(Cc1ccc(N)cc1)C(=O)CCC1CCCC1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide?
The InChIKey is MLCPNBMUAJSBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18(12-14-6-9-15(17)10-7-14)16(19)11-8-13-4-2-3-5-13/h6-7,9-10,13H,2-5,8,11-12,17H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide?
N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide is sourced from PubChem (CID 43458114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).