2-methyl-3-phenyl-N-propan-2-ylbutanamide

C14H21NO — CID 134975619

IUPAC2-methyl-3-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(C)C(C)c1ccccc1
InChIInChI=1S/C14H21NO/c1-10(2)15-14(16)12(4)11(3)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,15,16)
InChIKeyAWCCDENLYMJUFY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.95
Rot. Bonds4

About 2-methyl-3-phenyl-N-propan-2-ylbutanamide

2-methyl-3-phenyl-N-propan-2-ylbutanamide (PubChem CID 134975619) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-3-phenyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-methyl-3-phenyl-N-propan-2-ylbutanamide
PubChem CID134975619
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-methyl-3-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(C)C(C)c1ccccc1
InChIInChI=1S/C14H21NO/c1-10(2)15-14(16)12(4)11(3)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,15,16)
InChIKeyAWCCDENLYMJUFY-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-phenylbutanoic acid
CID 29759
2-amino-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 22262716
(3S,4S)-3-methyl-4-phenylpentan-2-one
CID 13413211
(3R,4R)-3-methyl-4-phenylpentan-2-one
CID 13413213
(3R)-2-methyl-3-phenylbutanamide
CID 140836270
ethane;methyl 2-methyl-3-phenylbutanoate
CID 161408482
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid
CID 62109514
2-[(2-methyl-1-phenylpropyl)amino]-N-propan-2-ylpropanamide
CID 112683279
4-[[carboxy(phenyl)methyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498245
(3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide
CID 55128874
N-benzhydryl-2-sulfanylpropanamide
CID 107022267
(2S)-N-benzhydryl-2-chloropropanamide
CID 2113355

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-N-propan-2-ylbutanamide?
The IUPAC name of 2-methyl-3-phenyl-N-propan-2-ylbutanamide (CID 134975619) is 2-methyl-3-phenyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-methyl-3-phenyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2-methyl-3-phenyl-N-propan-2-ylbutanamide is CC(C)NC(=O)C(C)C(C)c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-N-propan-2-ylbutanamide?
The InChIKey is AWCCDENLYMJUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)15-14(16)12(4)11(3)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,15,16).
What are the key properties of 2-methyl-3-phenyl-N-propan-2-ylbutanamide?
2-methyl-3-phenyl-N-propan-2-ylbutanamide has a molecular weight of 219.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 134975619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).