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

C17H26N2O — CID 43458719

IUPACN-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)CCC1CCCC1
InChIInChI=1S/C17H26N2O/c1-2-19(13-15-7-10-16(18)11-8-15)17(20)12-9-14-5-3-4-6-14/h7-8,10-11,14H,2-6,9,12-13,18H2,1H3
InChIKeyGOBBDUXJJUEWPC-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.59
Rot. Bonds6

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

N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide (PubChem CID 43458719) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide
PubChem CID43458719
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)CCC1CCCC1
InChIInChI=1S/C17H26N2O/c1-2-19(13-15-7-10-16(18)11-8-15)17(20)12-9-14-5-3-4-6-14/h7-8,10-11,14H,2-6,9,12-13,18H2,1H3
InChIKeyGOBBDUXJJUEWPC-UHFFFAOYSA-N
XLogP3.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.59
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-methylpropanamide
CID 43458114
N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide
CID 103161528
3-[1-(benzenesulfonyl)piperidin-4-yl]-N-benzyl-N-ethylpropanamide
CID 91903765
3-cyclopentyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78858621
N-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide
CID 103205538
N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide
CID 63229916
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869
5-[[[4-(4-butylphenyl)phenyl]methyl-(3-cyclopentylpropanoyl)amino]methyl]-2-hydroxybenzoic acid
CID 70973667
3-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide
CID 92931902
3-cyclopentyl-N-[2-(diethylamino)-2-oxoethyl]-N-methylpropanamide
CID 86908098
N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide
CID 103161534
4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63956122

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide (CID 43458719) is N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide is CCN(Cc1ccc(N)cc1)C(=O)CCC1CCCC1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide?
The InChIKey is GOBBDUXJJUEWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-19(13-15-7-10-16(18)11-8-15)17(20)12-9-14-5-3-4-6-14/h7-8,10-11,14H,2-6,9,12-13,18H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide?
N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 3.59, 6 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-ethylpropanamide is sourced from PubChem (CID 43458719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).