4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide

C12H17NO3 — CID 114332833

IUPAC4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide
SMILESCC(O)CCC(=O)NCc1ccc(O)cc1
InChIInChI=1S/C12H17NO3/c1-9(14)2-7-12(16)13-8-10-3-5-11(15)6-4-10/h3-6,9,14-15H,2,7-8H2,1H3,(H,13,16)
InChIKeyCDAADUCPSUVWPR-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.17
Rot. Bonds5

About 4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide

4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide (PubChem CID 114332833) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide
PubChem CID114332833
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide
SMILESCC(O)CCC(=O)NCc1ccc(O)cc1
InChIInChI=1S/C12H17NO3/c1-9(14)2-7-12(16)13-8-10-3-5-11(15)6-4-10/h3-6,9,14-15H,2,7-8H2,1H3,(H,13,16)
InChIKeyCDAADUCPSUVWPR-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943
3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164
4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide
CID 114332207
N-[(3-bromophenyl)methyl]-4-hydroxypentanamide
CID 79192945
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 81090221
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
N-[(4-hydroxyphenyl)methyl]-2-methoxypropanamide
CID 115588691
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836
5-(benzylamino)-2-methyl-5-oxopentanoic acid
CID 112515547
3-chloro-N-[(4-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114331641
N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide
CID 68558290
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide?
The IUPAC name of 4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide (CID 114332833) is 4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide?
The canonical SMILES for 4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide is CC(O)CCC(=O)NCc1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide?
The InChIKey is CDAADUCPSUVWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(14)2-7-12(16)13-8-10-3-5-11(15)6-4-10/h3-6,9,14-15H,2,7-8H2,1H3,(H,13,16).
What are the key properties of 4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide?
4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide has a molecular weight of 223.27 g/mol, XLogP of 1.17, 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-hydroxyphenyl)methyl]pentanamide is sourced from PubChem (CID 114332833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).