N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide

C16H22N2O — CID 83146723

IUPACN-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide
SMILESCC(C(=O)N(Cc1cccc(N)c1)C1CC1)C1CC1
InChIInChI=1S/C16H22N2O/c1-11(13-5-6-13)16(19)18(15-7-8-15)10-12-3-2-4-14(17)9-12/h2-4,9,11,13,15H,5-8,10,17H2,1H3
InChIKeyWWLUXVVASRLCML-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.81
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide

N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide (PubChem CID 83146723) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide
PubChem CID83146723
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide
SMILESCC(C(=O)N(Cc1cccc(N)c1)C1CC1)C1CC1
InChIInChI=1S/C16H22N2O/c1-11(13-5-6-13)16(19)18(15-7-8-15)10-12-3-2-4-14(17)9-12/h2-4,9,11,13,15H,5-8,10,17H2,1H3
InChIKeyWWLUXVVASRLCML-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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

1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea
CID 79154554
3-[[(4-ethylcyclohexyl)-propan-2-ylamino]methyl]aniline
CID 64748919
N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide
CID 43460760
1-[(3-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
CID 62700032
1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea
CID 43460769
2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide
CID 43460855
3-[[(3,4-dimethylcyclohexyl)-propan-2-ylamino]methyl]aniline
CID 64738779
3-amino-N-benzyl-N-cyclopropylbenzamide
CID 43574369
3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide
CID 119715345
N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 66129017
N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
CID 65215763
N-benzyl-3-chloro-N-cyclopropyl-2-methylpropanamide
CID 55110663

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide (CID 83146723) is N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide is CC(C(=O)N(Cc1cccc(N)c1)C1CC1)C1CC1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide?
The InChIKey is WWLUXVVASRLCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(13-5-6-13)16(19)18(15-7-8-15)10-12-3-2-4-14(17)9-12/h2-4,9,11,13,15H,5-8,10,17H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide?
N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide has a molecular weight of 258.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide is sourced from PubChem (CID 83146723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).