(3R)-2,3-dimethyl-4-phenylbutanamide

C12H17NO — CID 140571501

IUPAC(3R)-2,3-dimethyl-4-phenylbutanamide
SMILESCC(C(N)=O)[C@H](C)Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-9(10(2)12(13)14)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,13,14)/t9-,10?/m1/s1
InChIKeyJIMHOYCPBPMGDD-YHMJZVADSA-N
MW191.27 g/mol
LogP1.99
Rot. Bonds4

About (3R)-2,3-dimethyl-4-phenylbutanamide

(3R)-2,3-dimethyl-4-phenylbutanamide (PubChem CID 140571501) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (3R)-2,3-dimethyl-4-phenylbutanamide.

Molecular Properties

Compound Name(3R)-2,3-dimethyl-4-phenylbutanamide
PubChem CID140571501
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(3R)-2,3-dimethyl-4-phenylbutanamide
SMILESCC(C(N)=O)[C@H](C)Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-9(10(2)12(13)14)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,13,14)/t9-,10?/m1/s1
InChIKeyJIMHOYCPBPMGDD-YHMJZVADSA-N
XLogP1.99
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl (2R,3R)-2,3-dimethyl-4-phenylbutanoate
CID 170849387
benzyl 4-amino-3-benzyl-2-methyl-4-oxobutanoate
CID 90829390
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
2-bromo-3-phenylpropanamide
CID 22238787
(2S)-2-bromo-3-phenylpropanamide
CID 71482600
2-fluoro-3-methyl-4-phenylbutanoic acid
CID 81357532
2-deuterio-2-methyl-3-phenylpropanoic acid
CID 164888820
2,3-dimethylbutylbenzene
CID 12054035
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide
CID 71036532
2-[methyl(propan-2-yl)amino]-3-phenylpropanamide
CID 69053477
(2-methyl-3-phenylpropanoyl) 2-methyl-3-phenylpropanoate
CID 170643388
3-methyl-2-(1-phenylpropan-2-ylamino)butanamide
CID 106344213

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethyl-4-phenylbutanamide?
The IUPAC name of (3R)-2,3-dimethyl-4-phenylbutanamide (CID 140571501) is (3R)-2,3-dimethyl-4-phenylbutanamide.
What is the SMILES notation for (3R)-2,3-dimethyl-4-phenylbutanamide?
The canonical SMILES for (3R)-2,3-dimethyl-4-phenylbutanamide is CC(C(N)=O)[C@H](C)Cc1ccccc1.
What is the InChIKey of (3R)-2,3-dimethyl-4-phenylbutanamide?
The InChIKey is JIMHOYCPBPMGDD-YHMJZVADSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(10(2)12(13)14)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,13,14)/t9-,10?/m1/s1.
What are the key properties of (3R)-2,3-dimethyl-4-phenylbutanamide?
(3R)-2,3-dimethyl-4-phenylbutanamide has a molecular weight of 191.27 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethyl-4-phenylbutanamide is sourced from PubChem (CID 140571501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).