N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide

C19H23NO4 — CID 39971450

IUPACN-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
SMILESCCCCOc1ccc(CNC(=O)c2ccccc2O)cc1OC
InChIInChI=1S/C19H23NO4/c1-3-4-11-24-17-10-9-14(12-18(17)23-2)13-20-19(22)15-7-5-6-8-16(15)21/h5-10,12,21H,3-4,11,13H2,1-2H3,(H,20,22)
InChIKeyOCNGGTHWFYITRR-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.51
Rot. Bonds8

About N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide

N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide (PubChem CID 39971450) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
PubChem CID39971450
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
SMILESCCCCOc1ccc(CNC(=O)c2ccccc2O)cc1OC
InChIInChI=1S/C19H23NO4/c1-3-4-11-24-17-10-9-14(12-18(17)23-2)13-20-19(22)15-7-5-6-8-16(15)21/h5-10,12,21H,3-4,11,13H2,1-2H3,(H,20,22)
InChIKeyOCNGGTHWFYITRR-UHFFFAOYSA-N
XLogP3.51
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 55765507
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 39971234
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55694019
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-methoxy-5-nitrobenzamide
CID 39971109
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 60973203
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
N-[(4-butoxy-3-methoxyphenyl)methyl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 55706342
5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 54776790
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 39971219
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide?
The IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide (CID 39971450) is N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide?
The canonical SMILES for N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide is CCCCOc1ccc(CNC(=O)c2ccccc2O)cc1OC.
What is the InChIKey of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide?
The InChIKey is OCNGGTHWFYITRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-3-4-11-24-17-10-9-14(12-18(17)23-2)13-20-19(22)15-7-5-6-8-16(15)21/h5-10,12,21H,3-4,11,13H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide?
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide has a molecular weight of 329.40 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide is sourced from PubChem (CID 39971450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).