N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide

C15H23NO4 — CID 103750968

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(CCO)C(C)C)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-10(2)13(7-8-17)16-15(18)12-6-5-11(19-3)9-14(12)20-4/h5-6,9-10,13,17H,7-8H2,1-4H3,(H,16,18)
InChIKeyRCAKDYMRNWFQSV-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.84
Rot. Bonds7

About N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide

N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide (PubChem CID 103750968) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide
PubChem CID103750968
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC(CCO)C(C)C)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-10(2)13(7-8-17)16-15(18)12-6-5-11(19-3)9-14(12)20-4/h5-6,9-10,13,17H,7-8H2,1-4H3,(H,16,18)
InChIKeyRCAKDYMRNWFQSV-UHFFFAOYSA-N
XLogP1.84
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methoxybenzamide
CID 106349785
3-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43240643
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-(1-chloro-4-methylpentan-3-yl)-2-fluoro-4-methoxybenzamide
CID 114177723
2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 62480344
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212
(2S)-2-[(2,4-dimethoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145178
N-[(2S)-1-hydrazinyl-3-hydroxy-1-oxobutan-2-yl]-2,4-dimethoxybenzamide
CID 10613930
N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide
CID 55101251
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
N-(1-aminobutan-2-yl)-2,4-dimethoxybenzamide
CID 63755359

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide (CID 103750968) is N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)NC(CCO)C(C)C)c(OC)c1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide?
The InChIKey is RCAKDYMRNWFQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-10(2)13(7-8-17)16-15(18)12-6-5-11(19-3)9-14(12)20-4/h5-6,9-10,13,17H,7-8H2,1-4H3,(H,16,18).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide?
N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide has a molecular weight of 281.35 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 103750968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).