N-butyl-N-(4-hydroxyphenyl)-2-methoxybenzamide

C18H21NO3 — CID 162786310

IUPACN-butyl-N-(4-hydroxyphenyl)-2-methoxybenzamide
SMILESCCCCN(C(=O)c1ccccc1OC)c1ccc(O)cc1
InChIInChI=1S/C18H21NO3/c1-3-4-13-19(14-9-11-15(20)12-10-14)18(21)16-7-5-6-8-17(16)22-2/h5-12,20H,3-4,13H2,1-2H3
InChIKeyPQOJUZBXKYQWGV-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.85
Rot. Bonds6

About N-butyl-N-(4-hydroxyphenyl)-2-methoxybenzamide

N-butyl-N-(4-hydroxyphenyl)-2-methoxybenzamide (PubChem CID 162786310) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-butyl-N-(4-hydroxyphenyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-butyl-N-(4-hydroxyphenyl)-2-methoxybenzamide
PubChem CID162786310
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-butyl-N-(4-hydroxyphenyl)-2-methoxybenzamide
SMILESCCCCN(C(=O)c1ccccc1OC)c1ccc(O)cc1
InChIInChI=1S/C18H21NO3/c1-3-4-13-19(14-9-11-15(20)12-10-14)18(21)16-7-5-6-8-17(16)22-2/h5-12,20H,3-4,13H2,1-2H3
InChIKeyPQOJUZBXKYQWGV-UHFFFAOYSA-N
XLogP3.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide
CID 103865726
2-methoxy-N-(2-methylsulfanylethyl)-N-(4-sulfamoylphenyl)benzamide
CID 22036216
N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide
CID 168861521
N-butyl-2-hydroxy-5-methyl-N-phenylbenzamide
CID 60715687
N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide
CID 103889306
N-butyl-2-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 165388260
N-butyl-2-methoxy-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3230606
N-(4-ethylphenyl)-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 35180793
N-butyl-2,3-dimethoxy-N-methylbenzamide
CID 78796146
2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
N-(2-chloroethyl)-N-ethyl-2-methoxybenzamide
CID 63395082

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(4-hydroxyphenyl)-2-methoxybenzamide?
The IUPAC name of N-butyl-N-(4-hydroxyphenyl)-2-methoxybenzamide (CID 162786310) is N-butyl-N-(4-hydroxyphenyl)-2-methoxybenzamide.
What is the SMILES notation for N-butyl-N-(4-hydroxyphenyl)-2-methoxybenzamide?
The canonical SMILES for N-butyl-N-(4-hydroxyphenyl)-2-methoxybenzamide is CCCCN(C(=O)c1ccccc1OC)c1ccc(O)cc1.
What is the InChIKey of N-butyl-N-(4-hydroxyphenyl)-2-methoxybenzamide?
The InChIKey is PQOJUZBXKYQWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-4-13-19(14-9-11-15(20)12-10-14)18(21)16-7-5-6-8-17(16)22-2/h5-12,20H,3-4,13H2,1-2H3.
What are the key properties of N-butyl-N-(4-hydroxyphenyl)-2-methoxybenzamide?
N-butyl-N-(4-hydroxyphenyl)-2-methoxybenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(4-hydroxyphenyl)-2-methoxybenzamide is sourced from PubChem (CID 162786310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).