2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide

C16H24N2O — CID 107396898

IUPAC2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide
SMILESCCN(CC1CCC1)C(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C16H24N2O/c1-3-18(11-13-6-4-7-13)16(19)12(2)14-8-5-9-15(17)10-14/h5,8-10,12-13H,3-4,6-7,11,17H2,1-2H3
InChIKeyYBGATBFYMBSEAA-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.02
Rot. Bonds5

About 2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide

2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide (PubChem CID 107396898) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide
PubChem CID107396898
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide
SMILESCCN(CC1CCC1)C(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C16H24N2O/c1-3-18(11-13-6-4-7-13)16(19)12(2)14-8-5-9-15(17)10-14/h5,8-10,12-13H,3-4,6-7,11,17H2,1-2H3
InChIKeyYBGATBFYMBSEAA-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide
CID 106590949
3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide
CID 107398357
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-phenylacetamide
CID 107398345
2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide
CID 106591528
2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 106590951
2-(3-aminophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 106591044
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide
CID 106590925
3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline
CID 63632090
2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide
CID 106591163
5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107396879
2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide
CID 106006314
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride
CID 119799547

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide (CID 107396898) is 2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide is CCN(CC1CCC1)C(=O)C(C)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide?
The InChIKey is YBGATBFYMBSEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-18(11-13-6-4-7-13)16(19)12(2)14-8-5-9-15(17)10-14/h5,8-10,12-13H,3-4,6-7,11,17H2,1-2H3.
What are the key properties of 2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide?
2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide is sourced from PubChem (CID 107396898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).