N-butyl-2-methyl-3-phenylpropanamide

C14H21NO — CID 70830385

IUPACN-butyl-2-methyl-3-phenylpropanamide
SMILESCCCCNC(=O)C(C)Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-3-4-10-15-14(16)12(2)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,15,16)
InChIKeyVFKYNEJFDFPTGF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.78
Rot. Bonds6

About N-butyl-2-methyl-3-phenylpropanamide

N-butyl-2-methyl-3-phenylpropanamide (PubChem CID 70830385) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-butyl-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-butyl-2-methyl-3-phenylpropanamide
PubChem CID70830385
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-butyl-2-methyl-3-phenylpropanamide
SMILESCCCCNC(=O)C(C)Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-3-4-10-15-14(16)12(2)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,15,16)
InChIKeyVFKYNEJFDFPTGF-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butyl-2-methyl-3-phenylpropanamide 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

N-ethyl-2-methyl-3-phenylpropanamide
CID 58846627
(2R)-2-benzyl-N-butyl-3-methylpentanamide
CID 155243987
N-butyl-2-phenylpropanamide
CID 101453557
(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
CID 141196582
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
N-[(2S)-1-(dodecylamino)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 12049932
(2S)-2-acetamido-N-hexadecyl-3-phenylpropanamide
CID 101010140
(2S)-2-(dodecylcarbamoylamino)-N-[6-[[(2S)-2-(dodecylcarbamoylamino)-3-phenylpropanoyl]amino]hexyl]-3-phenylpropanamide
CID 102449042
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
N-butyl-2,3-diphenylpropanethioamide
CID 101226122
(2R)-2-(hexylcarbamoylamino)-3-phenylpropanoic acid
CID 7003826
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-3-phenylpropanamide?
The IUPAC name of N-butyl-2-methyl-3-phenylpropanamide (CID 70830385) is N-butyl-2-methyl-3-phenylpropanamide.
What is the SMILES notation for N-butyl-2-methyl-3-phenylpropanamide?
The canonical SMILES for N-butyl-2-methyl-3-phenylpropanamide is CCCCNC(=O)C(C)Cc1ccccc1.
What is the InChIKey of N-butyl-2-methyl-3-phenylpropanamide?
The InChIKey is VFKYNEJFDFPTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-4-10-15-14(16)12(2)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,15,16).
What are the key properties of N-butyl-2-methyl-3-phenylpropanamide?
N-butyl-2-methyl-3-phenylpropanamide has a molecular weight of 219.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 70830385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).