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

C13H18N2O2 — CID 837961

IUPAC(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
SMILESCC[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H18N2O2/c1-4-9(2)13(17)15-12-7-5-11(6-8-12)14-10(3)16/h5-9H,4H2,1-3H3,(H,14,16)(H,15,17)/t9-/m0/s1
InChIKeyIYKKYOYUJUQWGX-VIFPVBQESA-N
MW234.30 g/mol
LogP2.63
Rot. Bonds4

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

(2S)-N-(4-acetamidophenyl)-2-methylbutanamide (PubChem CID 837961) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
PubChem CID837961
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
SMILESCC[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H18N2O2/c1-4-9(2)13(17)15-12-7-5-11(6-8-12)14-10(3)16/h5-9H,4H2,1-3H3,(H,14,16)(H,15,17)/t9-/m0/s1
InChIKeyIYKKYOYUJUQWGX-VIFPVBQESA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide
CID 82118259
methyl 4-[[(2S)-2-methylbutanoyl]amino]benzoate
CID 838061
2-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 51331498
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide
CID 42948482
N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] propanoate
CID 7851109
N-tert-butyl-4-(2-methylbutanoylamino)benzamide
CID 46540195
N-(4-azidophenyl)-2-methylbutanamide
CID 58616737

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)-2-methylbutanamide?
The IUPAC name of (2S)-N-(4-acetamidophenyl)-2-methylbutanamide (CID 837961) is (2S)-N-(4-acetamidophenyl)-2-methylbutanamide.
What is the SMILES notation for (2S)-N-(4-acetamidophenyl)-2-methylbutanamide?
The canonical SMILES for (2S)-N-(4-acetamidophenyl)-2-methylbutanamide is CC[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of (2S)-N-(4-acetamidophenyl)-2-methylbutanamide?
The InChIKey is IYKKYOYUJUQWGX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-9(2)13(17)15-12-7-5-11(6-8-12)14-10(3)16/h5-9H,4H2,1-3H3,(H,14,16)(H,15,17)/t9-/m0/s1.
What are the key properties of (2S)-N-(4-acetamidophenyl)-2-methylbutanamide?
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide has a molecular weight of 234.30 g/mol, XLogP of 2.63, 4 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-methylbutanamide is sourced from PubChem (CID 837961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).