4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide

C13H20N2O2 — CID 79192534

IUPAC4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide
SMILESCNCc1cccc(NC(=O)CCC(C)O)c1
InChIInChI=1S/C13H20N2O2/c1-10(16)6-7-13(17)15-12-5-3-4-11(8-12)9-14-2/h3-5,8,10,14,16H,6-7,9H2,1-2H3,(H,15,17)
InChIKeyCYTXPLKXPIETKQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.51
Rot. Bonds6

About 4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide

4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide (PubChem CID 79192534) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide
PubChem CID79192534
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide
SMILESCNCc1cccc(NC(=O)CCC(C)O)c1
InChIInChI=1S/C13H20N2O2/c1-10(16)6-7-13(17)15-12-5-3-4-11(8-12)9-14-2/h3-5,8,10,14,16H,6-7,9H2,1-2H3,(H,15,17)
InChIKeyCYTXPLKXPIETKQ-UHFFFAOYSA-N
XLogP1.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(methylaminomethyl)phenyl]-3-methylsulfonylpropanamide
CID 54895428
3,4,4-trimethyl-N-[3-(methylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119440969
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
N-[3-(methylaminomethyl)phenyl]-2-(3-methylphenyl)acetamide
CID 62388896
3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide
CID 119441047
4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
CID 79205206
2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride
CID 119441041
2-methyl-4-[[3-(methylaminomethyl)phenyl]carbamoylamino]butanoic acid
CID 80540752
2-hydroxy-4-[[3-(methylaminomethyl)phenyl]carbamoylamino]butanoic acid
CID 107838735
2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide
CID 84589209
3-[methyl-[[3-(methylaminomethyl)phenyl]carbamoyl]amino]propanoic acid
CID 55134853
N-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide
CID 113375207

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide?
The IUPAC name of 4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide (CID 79192534) is 4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide?
The canonical SMILES for 4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide is CNCc1cccc(NC(=O)CCC(C)O)c1.
What is the InChIKey of 4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide?
The InChIKey is CYTXPLKXPIETKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(16)6-7-13(17)15-12-5-3-4-11(8-12)9-14-2/h3-5,8,10,14,16H,6-7,9H2,1-2H3,(H,15,17).
What are the key properties of 4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide?
4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide has a molecular weight of 236.31 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide is sourced from PubChem (CID 79192534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).