3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide

C13H19NO3 — CID 79600016

IUPAC3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(C(=O)NCCC(C)C)cc1O
InChIInChI=1S/C13H19NO3/c1-9(2)6-7-14-13(16)10-4-5-12(17-3)11(15)8-10/h4-5,8-9,15H,6-7H2,1-3H3,(H,14,16)
InChIKeyKEHIEBPZYTVHBS-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.18
Rot. Bonds5

About 3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide

3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide (PubChem CID 79600016) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
PubChem CID79600016
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
SMILESCOc1ccc(C(=O)NCCC(C)C)cc1O
InChIInChI=1S/C13H19NO3/c1-9(2)6-7-14-13(16)10-4-5-12(17-3)11(15)8-10/h4-5,8-9,15H,6-7H2,1-3H3,(H,14,16)
InChIKeyKEHIEBPZYTVHBS-UHFFFAOYSA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide
CID 106122205
N-(3-chloro-4-methoxybutyl)-3-hydroxy-4-methoxybenzamide
CID 106244636
N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
CID 114151462
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
2-methoxy-5-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65367764
N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79733239
3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 115674974
3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide
CID 79733240
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
CID 107157421
N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide (CID 79600016) is 3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide is COc1ccc(C(=O)NCCC(C)C)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide?
The InChIKey is KEHIEBPZYTVHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)6-7-14-13(16)10-4-5-12(17-3)11(15)8-10/h4-5,8-9,15H,6-7H2,1-3H3,(H,14,16).
What are the key properties of 3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide?
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide has a molecular weight of 237.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 79600016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).