N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide

C13H19NO — CID 96567688

IUPACN-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide
SMILESCC[C@H](Cc1ccc(C)cc1)NC(C)=O
InChIInChI=1S/C13H19NO/c1-4-13(14-11(3)15)9-12-7-5-10(2)6-8-12/h5-8,13H,4,9H2,1-3H3,(H,14,15)/t13-/m1/s1
InChIKeyNLNZMPIIYDRIBS-CYBMUJFWSA-N
MW205.30 g/mol
LogP2.45
Rot. Bonds4

About N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide

N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide (PubChem CID 96567688) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide
PubChem CID96567688
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide
SMILESCC[C@H](Cc1ccc(C)cc1)NC(C)=O
InChIInChI=1S/C13H19NO/c1-4-13(14-11(3)15)9-12-7-5-10(2)6-8-12/h5-8,13H,4,9H2,1-3H3,(H,14,15)/t13-/m1/s1
InChIKeyNLNZMPIIYDRIBS-CYBMUJFWSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2S)-1-(4-methylphenyl)butan-2-yl]acetamide
CID 96567687
N-[1-(4-fluorophenyl)butan-2-yl]acetamide
CID 167041823
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652
N-(1-phenylbutan-2-yl)acetamide
CID 2826983
4-hydroxy-N-[(2S)-1-(4-methylphenyl)butan-2-yl]thiane-4-carboxamide
CID 97330111
4-hydroxy-N-[(2R)-1-(4-methylphenyl)butan-2-yl]thiane-4-carboxamide
CID 97330112
2-acetamido-3-(4-methylphenyl)propanoic acid
CID 4528620
(3S)-3-hydroxy-N-[(2R)-1-(4-methylphenyl)butan-2-yl]thiolane-3-carboxamide
CID 97251715
4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline
CID 164667835
(4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one
CID 170393708
1-[(4-hydroxyoxan-4-yl)methyl]-3-[1-(4-methylphenyl)butan-2-yl]urea
CID 111508813
N-(1-bromobutan-2-yl)-2-(4-methylphenyl)acetamide
CID 114307759

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide (CID 96567688) is N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide is CC[C@H](Cc1ccc(C)cc1)NC(C)=O.
What is the InChIKey of N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide?
The InChIKey is NLNZMPIIYDRIBS-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-13(14-11(3)15)9-12-7-5-10(2)6-8-12/h5-8,13H,4,9H2,1-3H3,(H,14,15)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide?
N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide has a molecular weight of 205.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide is sourced from PubChem (CID 96567688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).