(3R)-2-methyl-3-phenylbutanamide

C11H15NO — CID 140836270

IUPAC(3R)-2-methyl-3-phenylbutanamide
SMILESCC(C(N)=O)[C@@H](C)c1ccccc1
InChIInChI=1S/C11H15NO/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,12,13)/t8-,9?/m1/s1
InChIKeyBPGWUWAQEREAIK-VEDVMXKPSA-N
MW177.25 g/mol
LogP1.91
Rot. Bonds3

About (3R)-2-methyl-3-phenylbutanamide

(3R)-2-methyl-3-phenylbutanamide (PubChem CID 140836270) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (3R)-2-methyl-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-2-methyl-3-phenylbutanamide
PubChem CID140836270
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(3R)-2-methyl-3-phenylbutanamide
SMILESCC(C(N)=O)[C@@H](C)c1ccccc1
InChIInChI=1S/C11H15NO/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,12,13)/t8-,9?/m1/s1
InChIKeyBPGWUWAQEREAIK-VEDVMXKPSA-N
XLogP1.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-3-phenylbutanoic acid
CID 29759
(3S,4S)-3-methyl-4-phenylpentan-2-one
CID 13413211
(3R,4R)-3-methyl-4-phenylpentan-2-one
CID 13413213
ethane;methyl 2-methyl-3-phenylbutanoate
CID 161408482
molecular hydrogen;(2S)-2-phenylpropanamide
CID 143947719
2-methyl-3-phenyl-N-propan-2-ylbutanamide
CID 134975619
methyl 2-hydroxy-3-phenylbutanoate
CID 14023743
2-hydrazinyl-3-phenylbutanoic acid
CID 55280832
1,1-diaminourea;1-phenylethylbenzene
CID 174865335
(1-amino-1-oxopropan-2-yl) 2-hydroxy-3-phenylbutanoate
CID 126796604
5-methyl-4-oxo-6-phenylheptanoic acid
CID 91535894
bis(carbamothioic S-acid);cumene
CID 87644989

Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyl-3-phenylbutanamide?
The IUPAC name of (3R)-2-methyl-3-phenylbutanamide (CID 140836270) is (3R)-2-methyl-3-phenylbutanamide.
What is the SMILES notation for (3R)-2-methyl-3-phenylbutanamide?
The canonical SMILES for (3R)-2-methyl-3-phenylbutanamide is CC(C(N)=O)[C@@H](C)c1ccccc1.
What is the InChIKey of (3R)-2-methyl-3-phenylbutanamide?
The InChIKey is BPGWUWAQEREAIK-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(9(2)11(12)13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,12,13)/t8-,9?/m1/s1.
What are the key properties of (3R)-2-methyl-3-phenylbutanamide?
(3R)-2-methyl-3-phenylbutanamide has a molecular weight of 177.25 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyl-3-phenylbutanamide is sourced from PubChem (CID 140836270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).