2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide

C18H21NO4 — CID 112846311

IUPAC2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide
SMILESCCCOc1cc(C)ccc1NC(=O)c1cc(OC)ccc1O
InChIInChI=1S/C18H21NO4/c1-4-9-23-17-10-12(2)5-7-15(17)19-18(21)14-11-13(22-3)6-8-16(14)20/h5-8,10-11,20H,4,9H2,1-3H3,(H,19,21)
InChIKeyRNFMJXJDOXNHCV-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.75
Rot. Bonds6

About 2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide

2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide (PubChem CID 112846311) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide
PubChem CID112846311
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide
SMILESCCCOc1cc(C)ccc1NC(=O)c1cc(OC)ccc1O
InChIInChI=1S/C18H21NO4/c1-4-9-23-17-10-12(2)5-7-15(17)19-18(21)14-11-13(22-3)6-8-16(14)20/h5-8,10-11,20H,4,9H2,1-3H3,(H,19,21)
InChIKeyRNFMJXJDOXNHCV-UHFFFAOYSA-N
XLogP3.75
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide
CID 60715660
N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide
CID 18108995
N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide
CID 60534076
2-chloro-N-(4-methyl-2-propoxyphenyl)furan-3-carboxamide
CID 106685527
2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
CID 87023490
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
phenyl N-(4-methyl-2-propoxyphenyl)carbamate
CID 61216988
2,5-dimethyl-N-(2-propoxyphenyl)benzamide
CID 78772580
2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide
CID 55901846
N-(2-fluoro-4-hydroxyphenyl)-2-hydroxy-5-methoxybenzamide
CID 64794044

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide?
The IUPAC name of 2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide (CID 112846311) is 2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide.
What is the SMILES notation for 2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide?
The canonical SMILES for 2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide is CCCOc1cc(C)ccc1NC(=O)c1cc(OC)ccc1O.
What is the InChIKey of 2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide?
The InChIKey is RNFMJXJDOXNHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-4-9-23-17-10-12(2)5-7-15(17)19-18(21)14-11-13(22-3)6-8-16(14)20/h5-8,10-11,20H,4,9H2,1-3H3,(H,19,21).
What are the key properties of 2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide?
2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide has a molecular weight of 315.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide is sourced from PubChem (CID 112846311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).