4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide

C16H24N2O3 — CID 61246638

IUPAC4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC(CO)CC(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-11(2)8-15(10-19)18-16(21)14-6-4-13(5-7-14)9-17-12(3)20/h4-7,11,15,19H,8-10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyJZQFRHJGDBVPDW-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.46
Rot. Bonds7

About 4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide

4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide (PubChem CID 61246638) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
PubChem CID61246638
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC(CO)CC(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-11(2)8-15(10-19)18-16(21)14-6-4-13(5-7-14)9-17-12(3)20/h4-7,11,15,19H,8-10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyJZQFRHJGDBVPDW-UHFFFAOYSA-N
XLogP1.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252904
N-(1-hydroxy-4-methylpentan-2-yl)-4-(methoxymethyl)benzamide
CID 61245639
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
N-(1-amino-4-methylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119586202
4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246765
4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide
CID 66175163
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
(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
3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
CID 61247488

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide (CID 61246638) is 4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide is CC(=O)NCc1ccc(C(=O)NC(CO)CC(C)C)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The InChIKey is JZQFRHJGDBVPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)8-15(10-19)18-16(21)14-6-4-13(5-7-14)9-17-12(3)20/h4-7,11,15,19H,8-10H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide has a molecular weight of 292.38 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 61246638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).