4-hydroxy-N-(4-hydroxypentyl)benzamide

C12H17NO3 — CID 107300182

IUPAC4-hydroxy-N-(4-hydroxypentyl)benzamide
SMILESCC(O)CCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO3/c1-9(14)3-2-8-13-12(16)10-4-6-11(15)7-5-10/h4-7,9,14-15H,2-3,8H2,1H3,(H,13,16)
InChIKeyWDTSBDSCBXODRT-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.28
Rot. Bonds5

About 4-hydroxy-N-(4-hydroxypentyl)benzamide

4-hydroxy-N-(4-hydroxypentyl)benzamide (PubChem CID 107300182) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-hydroxy-N-(4-hydroxypentyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-hydroxypentyl)benzamide
PubChem CID107300182
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-hydroxy-N-(4-hydroxypentyl)benzamide
SMILESCC(O)CCCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO3/c1-9(14)3-2-8-13-12(16)10-4-6-11(15)7-5-10/h4-7,9,14-15H,2-3,8H2,1H3,(H,13,16)
InChIKeyWDTSBDSCBXODRT-UHFFFAOYSA-N
XLogP1.28
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(3-hydroxybutyl)benzamide
CID 64912837
4-(dimethylamino)-N-(4-hydroxypentyl)benzamide
CID 107329726
4-(carbamoylamino)-N-(4-hydroxypentyl)benzamide
CID 107300353
4-ethoxy-N-(4-hydroxypentyl)benzamide
CID 107299822
N-(4-hydroxypentyl)thiophene-3-carboxamide
CID 107299586
N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide
CID 107300460
4-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 80539044
4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
CID 106134450
N-decyl-4-hydroxybenzamide
CID 15277871
3,5-diamino-N-(4-hydroxypentyl)benzamide
CID 114145961
4-fluoro-N-(4-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 107300108
N-(5-aminopentyl)-4-hydroxybenzamide
CID 11459592

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-hydroxypentyl)benzamide?
The IUPAC name of 4-hydroxy-N-(4-hydroxypentyl)benzamide (CID 107300182) is 4-hydroxy-N-(4-hydroxypentyl)benzamide.
What is the SMILES notation for 4-hydroxy-N-(4-hydroxypentyl)benzamide?
The canonical SMILES for 4-hydroxy-N-(4-hydroxypentyl)benzamide is CC(O)CCCNC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-(4-hydroxypentyl)benzamide?
The InChIKey is WDTSBDSCBXODRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(14)3-2-8-13-12(16)10-4-6-11(15)7-5-10/h4-7,9,14-15H,2-3,8H2,1H3,(H,13,16).
What are the key properties of 4-hydroxy-N-(4-hydroxypentyl)benzamide?
4-hydroxy-N-(4-hydroxypentyl)benzamide has a molecular weight of 223.27 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-hydroxypentyl)benzamide is sourced from PubChem (CID 107300182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).