4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

C15H22N2O3 — CID 79252904

IUPAC4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)N[C@H](CO)C(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-10(2)14(9-18)17-15(20)13-6-4-12(5-7-13)8-16-11(3)19/h4-7,10,14,18H,8-9H2,1-3H3,(H,16,19)(H,17,20)/t14-/m1/s1
InChIKeyBLVNYIQXRFCJCO-CQSZACIVSA-N
MW278.35 g/mol
LogP1.07
Rot. Bonds6

About 4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide (PubChem CID 79252904) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
PubChem CID79252904
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)N[C@H](CO)C(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-10(2)14(9-18)17-15(20)13-6-4-12(5-7-13)8-16-11(3)19/h4-7,10,14,18H,8-9H2,1-3H3,(H,16,19)(H,17,20)/t14-/m1/s1
InChIKeyBLVNYIQXRFCJCO-CQSZACIVSA-N
XLogP1.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 79246122
4-(chloromethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79250325
4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246638
4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79250291
4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide
CID 66175163
(2S,3S)-2-[[4-(acetamidomethyl)benzoyl]amino]-3-methylpentanoic acid
CID 92943759
4-(acetamidomethyl)-N-(1,1-diphenylpropan-2-yl)benzamide
CID 134054915
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79027939
4-(acetamidomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716266
1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea
CID 74321598
4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120830510

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide (CID 79252904) is 4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide is CC(=O)NCc1ccc(C(=O)N[C@H](CO)C(C)C)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The InChIKey is BLVNYIQXRFCJCO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)14(9-18)17-15(20)13-6-4-12(5-7-13)8-16-11(3)19/h4-7,10,14,18H,8-9H2,1-3H3,(H,16,19)(H,17,20)/t14-/m1/s1.
What are the key properties of 4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 79252904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).