2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide

C16H24N2O — CID 80556057

IUPAC2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)(C)c1ccc(N)cc1)C1CC1
InChIInChI=1S/C16H24N2O/c1-4-11-18(14-9-10-14)15(19)16(2,3)12-5-7-13(17)8-6-12/h5-8,14H,4,9-11,17H2,1-3H3
InChIKeyPQVVQNKEXAAEML-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.95
Rot. Bonds5

About 2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide

2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide (PubChem CID 80556057) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide
PubChem CID80556057
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)(C)c1ccc(N)cc1)C1CC1
InChIInChI=1S/C16H24N2O/c1-4-11-18(14-9-10-14)15(19)16(2,3)12-5-7-13(17)8-6-12/h5-8,14H,4,9-11,17H2,1-3H3
InChIKeyPQVVQNKEXAAEML-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 ≤ 500260.38
LogP ≤ 52.95
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-methyl-2-phenyl-N-piperidin-4-yl-N-propylpropanamide
CID 60806254
2-(4-aminophenyl)-N-(cyclopropylmethyl)-N,2-dimethylpropanamide
CID 80556761
2-(4-aminophenyl)-N,N,2-trimethylpropanamide
CID 80556055
2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide
CID 80503099
N-(3-aminopropyl)-N-cyclopentyl-2-methyl-2-phenylpropanamide
CID 43136808
N-(3-chloropropyl)-N-cyclobutyl-2-methyl-2-phenylpropanamide
CID 102871982
2-(4-aminophenyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylpropanamide
CID 80556703
4-[cyclopropyl(propyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437610
2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide
CID 80556205
2-(4-aminophenyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 80555000
2-(4-aminophenyl)-2-methylpropanoyl chloride
CID 117047669
2-(4-aminophenyl)-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 107220792

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide (CID 80556057) is 2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide is CCCN(C(=O)C(C)(C)c1ccc(N)cc1)C1CC1.
What is the InChIKey of 2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide?
The InChIKey is PQVVQNKEXAAEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-11-18(14-9-10-14)15(19)16(2,3)12-5-7-13(17)8-6-12/h5-8,14H,4,9-11,17H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide?
2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide has a molecular weight of 260.38 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 2-(4-aminophenyl)-N-cyclopropyl-2-methyl-N-propylpropanamide is sourced from PubChem (CID 80556057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).