4-methoxy-3,5-dimethyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]benzamide

C17H25NO3 — CID 143001988

IUPAC4-methoxy-3,5-dimethyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]benzamide
SMILESCOc1c(C)cc(C(=O)N[C@H](CC(C)C)C(C)=O)cc1C
InChIInChI=1S/C17H25NO3/c1-10(2)7-15(13(5)19)18-17(20)14-8-11(3)16(21-6)12(4)9-14/h8-10,15H,7H2,1-6H3,(H,18,20)/t15-/m1/s1
InChIKeyHVXAKNZSBXTYDD-OAHLLOKOSA-N
MW291.39 g/mol
LogP3.05
Rot. Bonds6

About 4-methoxy-3,5-dimethyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]benzamide

4-methoxy-3,5-dimethyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]benzamide (PubChem CID 143001988) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]benzamide
PubChem CID143001988
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-methoxy-3,5-dimethyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]benzamide
SMILESCOc1c(C)cc(C(=O)N[C@H](CC(C)C)C(C)=O)cc1C
InChIInChI=1S/C17H25NO3/c1-10(2)7-15(13(5)19)18-17(20)14-8-11(3)16(21-6)12(4)9-14/h8-10,15H,7H2,1-6H3,(H,18,20)/t15-/m1/s1
InChIKeyHVXAKNZSBXTYDD-OAHLLOKOSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid
CID 16772294
methyl (2R)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798268
(2S,3S)-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-3-methylpentanoic acid
CID 120686080
methyl (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798267
3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid
CID 120689532
methyl (2R)-2-[(3,5-diacetamidobenzoyl)amino]-4-methylpentanoate
CID 41236732
3-amino-N-[(3S)-5-methyl-2-oxohexan-3-yl]benzamide
CID 163583328
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]-4-methylpentanoate
CID 115659766
(2R)-2-[(3,4-dimethoxy-5-nitrobenzoyl)amino]-4-methylpentanoic acid
CID 119364743
2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 107674632
N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide
CID 61246474
4-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-oxobutanoic acid
CID 116918457

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]benzamide?
The IUPAC name of 4-methoxy-3,5-dimethyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]benzamide (CID 143001988) is 4-methoxy-3,5-dimethyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]benzamide?
The canonical SMILES for 4-methoxy-3,5-dimethyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]benzamide is COc1c(C)cc(C(=O)N[C@H](CC(C)C)C(C)=O)cc1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]benzamide?
The InChIKey is HVXAKNZSBXTYDD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25NO3/c1-10(2)7-15(13(5)19)18-17(20)14-8-11(3)16(21-6)12(4)9-14/h8-10,15H,7H2,1-6H3,(H,18,20)/t15-/m1/s1.
What are the key properties of 4-methoxy-3,5-dimethyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]benzamide?
4-methoxy-3,5-dimethyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]benzamide has a molecular weight of 291.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-N-[(3R)-5-methyl-2-oxohexan-3-yl]benzamide is sourced from PubChem (CID 143001988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).