N-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide

C15H21NO2 — CID 100938187

IUPACN-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide
SMILESCC[C@H](C)[C@H](NC(C)=O)C(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO2/c1-5-11(3)14(16-12(4)17)15(18)13-8-6-10(2)7-9-13/h6-9,11,14H,5H2,1-4H3,(H,16,17)/t11-,14-/m0/s1
InChIKeyOMOPNCSBAPDNRC-FZMZJTMJSA-N
MW247.34 g/mol
LogP2.73
Rot. Bonds5

About N-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide

N-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide (PubChem CID 100938187) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide
PubChem CID100938187
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide
SMILESCC[C@H](C)[C@H](NC(C)=O)C(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO2/c1-5-11(3)14(16-12(4)17)15(18)13-8-6-10(2)7-9-13/h6-9,11,14H,5H2,1-4H3,(H,16,17)/t11-,14-/m0/s1
InChIKeyOMOPNCSBAPDNRC-FZMZJTMJSA-N
XLogP2.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide?
The IUPAC name of N-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide (CID 100938187) is N-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide is CC[C@H](C)[C@H](NC(C)=O)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide?
The InChIKey is OMOPNCSBAPDNRC-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-11(3)14(16-12(4)17)15(18)13-8-6-10(2)7-9-13/h6-9,11,14H,5H2,1-4H3,(H,16,17)/t11-,14-/m0/s1.
What are the key properties of N-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide?
N-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-3-methyl-1-(4-methylphenyl)-1-oxopentan-2-yl]acetamide is sourced from PubChem (CID 100938187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).