3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide

C15H24N2O — CID 43308993

IUPAC3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide
SMILESCCC(C)CN(C)C(=O)CCc1cccc(N)c1
InChIInChI=1S/C15H24N2O/c1-4-12(2)11-17(3)15(18)9-8-13-6-5-7-14(16)10-13/h5-7,10,12H,4,8-9,11,16H2,1-3H3
InChIKeyQVVWJLFEFPOJMR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.71
Rot. Bonds6

About 3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide

3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide (PubChem CID 43308993) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide
PubChem CID43308993
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide
SMILESCCC(C)CN(C)C(=O)CCc1cccc(N)c1
InChIInChI=1S/C15H24N2O/c1-4-12(2)11-17(3)15(18)9-8-13-6-5-7-14(16)10-13/h5-7,10,12H,4,8-9,11,16H2,1-3H3
InChIKeyQVVWJLFEFPOJMR-UHFFFAOYSA-N
XLogP2.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
CID 104550949
1-(3-aminophenyl)-5-methylheptan-3-one
CID 116603308
3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide
CID 43309224
3-[3-(3-aminophenyl)propanoyl-methylamino]propanoic acid
CID 115341393
3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 61411542
3-(3-aminophenyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 80694736
3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide
CID 28713346
3-(3-aminophenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylpropanamide
CID 80700446
3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 80704733
3-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 61413671
3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide
CID 55009959
3-[3-(3-aminophenyl)propanoyl-propan-2-ylamino]propanoic acid
CID 115341312

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide (CID 43308993) is 3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide is CCC(C)CN(C)C(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide?
The InChIKey is QVVWJLFEFPOJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-12(2)11-17(3)15(18)9-8-13-6-5-7-14(16)10-13/h5-7,10,12H,4,8-9,11,16H2,1-3H3.
What are the key properties of 3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide?
3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide is sourced from PubChem (CID 43308993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).