4-hydroxy-N-(3-pentoxyphenyl)benzamide

C18H21NO3 — CID 54418426

IUPAC4-hydroxy-N-(3-pentoxyphenyl)benzamide
SMILESCCCCCOc1cccc(NC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C18H21NO3/c1-2-3-4-12-22-17-7-5-6-15(13-17)19-18(21)14-8-10-16(20)11-9-14/h5-11,13,20H,2-4,12H2,1H3,(H,19,21)
InChIKeyVZCDCROMNRYKNT-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.21
Rot. Bonds7

About 4-hydroxy-N-(3-pentoxyphenyl)benzamide

4-hydroxy-N-(3-pentoxyphenyl)benzamide (PubChem CID 54418426) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-hydroxy-N-(3-pentoxyphenyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-pentoxyphenyl)benzamide
PubChem CID54418426
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-hydroxy-N-(3-pentoxyphenyl)benzamide
SMILESCCCCCOc1cccc(NC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C18H21NO3/c1-2-3-4-12-22-17-7-5-6-15(13-17)19-18(21)14-8-10-16(20)11-9-14/h5-11,13,20H,2-4,12H2,1H3,(H,19,21)
InChIKeyVZCDCROMNRYKNT-UHFFFAOYSA-N
XLogP4.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-(3-heptoxyphenyl)-4-propan-2-ylbenzamide
CID 17177482
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
N-[3-(2-methylpropoxy)phenyl]-4-pentoxybenzamide
CID 17079611
N-(3-hexoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 17094813
N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide
CID 17123828
4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide
CID 17141337
4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide
CID 17141359
3-chloro-N-(3-hexoxyphenyl)benzamide
CID 17094792

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-pentoxyphenyl)benzamide?
The IUPAC name of 4-hydroxy-N-(3-pentoxyphenyl)benzamide (CID 54418426) is 4-hydroxy-N-(3-pentoxyphenyl)benzamide.
What is the SMILES notation for 4-hydroxy-N-(3-pentoxyphenyl)benzamide?
The canonical SMILES for 4-hydroxy-N-(3-pentoxyphenyl)benzamide is CCCCCOc1cccc(NC(=O)c2ccc(O)cc2)c1.
What is the InChIKey of 4-hydroxy-N-(3-pentoxyphenyl)benzamide?
The InChIKey is VZCDCROMNRYKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-2-3-4-12-22-17-7-5-6-15(13-17)19-18(21)14-8-10-16(20)11-9-14/h5-11,13,20H,2-4,12H2,1H3,(H,19,21).
What are the key properties of 4-hydroxy-N-(3-pentoxyphenyl)benzamide?
4-hydroxy-N-(3-pentoxyphenyl)benzamide has a molecular weight of 299.37 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-pentoxyphenyl)benzamide is sourced from PubChem (CID 54418426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).