N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide

C16H24N2O — CID 103161528

IUPACN-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide
SMILESCCCN(Cc1ccc(N)cc1)C(=O)CC1CCC1
InChIInChI=1S/C16H24N2O/c1-2-10-18(16(19)11-13-4-3-5-13)12-14-6-8-15(17)9-7-14/h6-9,13H,2-5,10-12,17H2,1H3
InChIKeyBJPYWWYRDUJITK-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.20
Rot. Bonds6

About N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide

N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide (PubChem CID 103161528) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide
PubChem CID103161528
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide
SMILESCCCN(Cc1ccc(N)cc1)C(=O)CC1CCC1
InChIInChI=1S/C16H24N2O/c1-2-10-18(16(19)11-13-4-3-5-13)12-14-6-8-15(17)9-7-14/h6-9,13H,2-5,10-12,17H2,1H3
InChIKeyBJPYWWYRDUJITK-UHFFFAOYSA-N
XLogP3.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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]-2-cyclobutyl-N-cyclopropylacetamide
CID 103161534
ethyl N-[(4-aminophenyl)methyl]-N-propylcarbamate
CID 43459532
N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
CID 55091685
N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide
CID 43458719
ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
CID 103707142
N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide
CID 61365434
N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide
CID 106826043
N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
CID 43459453
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide
CID 103163676
N-benzyl-2-cyclopentyl-N-(2-methoxyethyl)acetamide
CID 86975819
ethyl 2-[(2-cyclopentylacetyl)-propylamino]acetate
CID 54899097

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide (CID 103161528) is N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide is CCCN(Cc1ccc(N)cc1)C(=O)CC1CCC1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide?
The InChIKey is BJPYWWYRDUJITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-10-18(16(19)11-13-4-3-5-13)12-14-6-8-15(17)9-7-14/h6-9,13H,2-5,10-12,17H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide?
N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide has a molecular weight of 260.38 g/mol, XLogP of 3.20, 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]-2-cyclobutyl-N-propylacetamide is sourced from PubChem (CID 103161528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).