(2S)-N-(4-acetamidophenyl)-2-methylpentanamide

C14H20N2O2 — CID 670216

IUPAC(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
SMILESCCC[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-4-5-10(2)14(18)16-13-8-6-12(7-9-13)15-11(3)17/h6-10H,4-5H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1
InChIKeySKQJEXNNWUHXRF-JTQLQIEISA-N
MW248.33 g/mol
LogP3.02
Rot. Bonds5

About (2S)-N-(4-acetamidophenyl)-2-methylpentanamide

(2S)-N-(4-acetamidophenyl)-2-methylpentanamide (PubChem CID 670216) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)-2-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
PubChem CID670216
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
SMILESCCC[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-4-5-10(2)14(18)16-13-8-6-12(7-9-13)15-11(3)17/h6-10H,4-5H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1
InChIKeySKQJEXNNWUHXRF-JTQLQIEISA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxyphenyl)-2-methylpentanamide
CID 43210200
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
2-methyl-N-phenylpentanamide
CID 4627801
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
N-[4-(bromomethyl)phenyl]-2-methylpentanamide
CID 114310848
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylpentanamide
CID 43210178
N-methyl-4-(2-methylpentanoylamino)benzamide
CID 75981619
[amino-[4-(2-methylpentanoylamino)phenyl]methylidene]azanium
CID 21349582
N-(4-carbamothioylphenyl)-2-methylpentanamide
CID 43210162
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
(2S)-N-[4-(cyanomethyl)phenyl]-2-methylpentanamide
CID 94187740

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)-2-methylpentanamide?
The IUPAC name of (2S)-N-(4-acetamidophenyl)-2-methylpentanamide (CID 670216) is (2S)-N-(4-acetamidophenyl)-2-methylpentanamide.
What is the SMILES notation for (2S)-N-(4-acetamidophenyl)-2-methylpentanamide?
The canonical SMILES for (2S)-N-(4-acetamidophenyl)-2-methylpentanamide is CCC[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of (2S)-N-(4-acetamidophenyl)-2-methylpentanamide?
The InChIKey is SKQJEXNNWUHXRF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-5-10(2)14(18)16-13-8-6-12(7-9-13)15-11(3)17/h6-10H,4-5H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-acetamidophenyl)-2-methylpentanamide?
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide has a molecular weight of 248.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamidophenyl)-2-methylpentanamide is sourced from PubChem (CID 670216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).