N-[(2R)-2-phenylbutan-2-yl]acetamide

C12H17NO — CID 101079586

IUPACN-[(2R)-2-phenylbutan-2-yl]acetamide
SMILESCC[C@@](C)(NC(C)=O)c1ccccc1
InChIInChI=1S/C12H17NO/c1-4-12(3,13-10(2)14)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,13,14)/t12-/m1/s1
InChIKeyFTLKXBZFHBBWRN-GFCCVEGCSA-N
MW191.27 g/mol
LogP2.45
Rot. Bonds3

About N-[(2R)-2-phenylbutan-2-yl]acetamide

N-[(2R)-2-phenylbutan-2-yl]acetamide (PubChem CID 101079586) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[(2R)-2-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-phenylbutan-2-yl]acetamide
PubChem CID101079586
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[(2R)-2-phenylbutan-2-yl]acetamide
SMILESCC[C@@](C)(NC(C)=O)c1ccccc1
InChIInChI=1S/C12H17NO/c1-4-12(3,13-10(2)14)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,13,14)/t12-/m1/s1
InChIKeyFTLKXBZFHBBWRN-GFCCVEGCSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3S)-2-oxo-3-phenylpentan-3-yl]acetamide
CID 102237864
2-methoxy-N-(2-phenylbutan-2-yl)benzamide
CID 86899366
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
1-[4-(2-cyanopropan-2-yl)phenyl]-3-(2-phenylbutan-2-yl)urea
CID 86899617
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
2-amino-2-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)butanamide
CID 105058275
N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide
CID 105059655
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-phenylbutan-2-yl]acetamide
CID 100671479
2-phenylhexan-2-ylurea
CID 121306915
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059191
oxolane-2,4-dione;N-(2-phenylbutan-2-yl)prop-2-enamide
CID 174925415

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-phenylbutan-2-yl]acetamide?
The IUPAC name of N-[(2R)-2-phenylbutan-2-yl]acetamide (CID 101079586) is N-[(2R)-2-phenylbutan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-2-phenylbutan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-2-phenylbutan-2-yl]acetamide is CC[C@@](C)(NC(C)=O)c1ccccc1.
What is the InChIKey of N-[(2R)-2-phenylbutan-2-yl]acetamide?
The InChIKey is FTLKXBZFHBBWRN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-12(3,13-10(2)14)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3,(H,13,14)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-phenylbutan-2-yl]acetamide?
N-[(2R)-2-phenylbutan-2-yl]acetamide has a molecular weight of 191.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 101079586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).