N-[2-[(2R)-butan-2-yl]phenyl]acetamide

C12H17NO — CID 959734

IUPACN-[2-[(2R)-butan-2-yl]phenyl]acetamide
SMILESCC[C@@H](C)c1ccccc1NC(C)=O
InChIInChI=1S/C12H17NO/c1-4-9(2)11-7-5-6-8-12(11)13-10(3)14/h5-9H,4H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyLHCWDMHDVKNVDR-SECBINFHSA-N
MW191.27 g/mol
LogP3.16
Rot. Bonds3

About N-[2-[(2R)-butan-2-yl]phenyl]acetamide

N-[2-[(2R)-butan-2-yl]phenyl]acetamide (PubChem CID 959734) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[2-[(2R)-butan-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-butan-2-yl]phenyl]acetamide
PubChem CID959734
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[2-[(2R)-butan-2-yl]phenyl]acetamide
SMILESCC[C@@H](C)c1ccccc1NC(C)=O
InChIInChI=1S/C12H17NO/c1-4-9(2)11-7-5-6-8-12(11)13-10(3)14/h5-9H,4H2,1-3H3,(H,13,14)/t9-/m1/s1
InChIKeyLHCWDMHDVKNVDR-SECBINFHSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-[(2-butan-2-ylphenyl)carbamothioyl]acetamide
CID 2937950
(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 8894212
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910430
N-(2-butan-2-ylphenyl)prop-2-enamide
CID 60778016
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758
N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565
N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429
N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 55247136
ethyl 2-(2-butan-2-ylanilino)-2-oxoacetate
CID 3687050

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]acetamide?
The IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]acetamide (CID 959734) is N-[2-[(2R)-butan-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(2R)-butan-2-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[(2R)-butan-2-yl]phenyl]acetamide is CC[C@@H](C)c1ccccc1NC(C)=O.
What is the InChIKey of N-[2-[(2R)-butan-2-yl]phenyl]acetamide?
The InChIKey is LHCWDMHDVKNVDR-SECBINFHSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-9(2)11-7-5-6-8-12(11)13-10(3)14/h5-9H,4H2,1-3H3,(H,13,14)/t9-/m1/s1.
What are the key properties of N-[2-[(2R)-butan-2-yl]phenyl]acetamide?
N-[2-[(2R)-butan-2-yl]phenyl]acetamide has a molecular weight of 191.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-butan-2-yl]phenyl]acetamide is sourced from PubChem (CID 959734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).