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

C16H22N2O — CID 103161534

IUPACN-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide
SMILESNc1ccc(CN(C(=O)CC2CCC2)C2CC2)cc1
InChIInChI=1S/C16H22N2O/c17-14-6-4-13(5-7-14)11-18(15-8-9-15)16(19)10-12-2-1-3-12/h4-7,12,15H,1-3,8-11,17H2
InChIKeyUKBXUFPAFQQSTK-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.95
Rot. Bonds5

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

N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide (PubChem CID 103161534) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide
PubChem CID103161534
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide
SMILESNc1ccc(CN(C(=O)CC2CCC2)C2CC2)cc1
InChIInChI=1S/C16H22N2O/c17-14-6-4-13(5-7-14)11-18(15-8-9-15)16(19)10-12-2-1-3-12/h4-7,12,15H,1-3,8-11,17H2
InChIKeyUKBXUFPAFQQSTK-UHFFFAOYSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.95
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-propylacetamide
CID 103161528
N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide
CID 43460560
4-[[(2-cyclohexylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 46565694
N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide
CID 43460515
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-2-piperidin-3-ylacetamide
CID 62676328
N-benzyl-N-cyclopropyl-2-piperidin-4-ylacetamide
CID 61030052
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-propoxypropanamide
CID 62687145
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide
CID 43460540
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide
CID 43460533
N-benzyl-N-cyclohexyl-2-(4-methoxycyclohexyl)acetamide
CID 166186727
1-(4-aminophenyl)-3-cyclopentylpropan-2-one
CID 116549551
2-cyclopentyl-N-cyclopropyl-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide
CID 26359192

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide (CID 103161534) is N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide is Nc1ccc(CN(C(=O)CC2CCC2)C2CC2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide?
The InChIKey is UKBXUFPAFQQSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-14-6-4-13(5-7-14)11-18(15-8-9-15)16(19)10-12-2-1-3-12/h4-7,12,15H,1-3,8-11,17H2.
What are the key properties of N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide?
N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide has a molecular weight of 258.36 g/mol, XLogP of 2.95, 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]-2-cyclobutyl-N-cyclopropylacetamide is sourced from PubChem (CID 103161534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).