N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide

C14H22N2O — CID 43459453

IUPACN-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
SMILESCCCN(Cc1ccc(N)cc1)C(=O)C(C)C
InChIInChI=1S/C14H22N2O/c1-4-9-16(14(17)11(2)3)10-12-5-7-13(15)8-6-12/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyARGIDCXBQWRVAC-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.66
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide

N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide (PubChem CID 43459453) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
PubChem CID43459453
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
SMILESCCCN(Cc1ccc(N)cc1)C(=O)C(C)C
InChIInChI=1S/C14H22N2O/c1-4-9-16(14(17)11(2)3)10-12-5-7-13(15)8-6-12/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyARGIDCXBQWRVAC-UHFFFAOYSA-N
XLogP2.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.66
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-ethyl-N-propylhexanamide
CID 43459457
ethyl N-[(4-aminophenyl)methyl]-N-propylcarbamate
CID 43459532
2-amino-3-methyl-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869423
N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
CID 55091685
2-[(4-aminophenyl)methyl-propylamino]propanamide
CID 43459613
N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide
CID 43459468
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 60682717
N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide
CID 106826043
4-[[methyl(propyl)amino]methyl]aniline
CID 23506800
3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869448
N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-propylacetamide
CID 103161528
N-ethyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 91015016

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide (CID 43459453) is N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide is CCCN(Cc1ccc(N)cc1)C(=O)C(C)C.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide?
The InChIKey is ARGIDCXBQWRVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-9-16(14(17)11(2)3)10-12-5-7-13(15)8-6-12/h5-8,11H,4,9-10,15H2,1-3H3.
What are the key properties of N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide?
N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.66, 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-methyl-N-propylpropanamide is sourced from PubChem (CID 43459453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).