3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide

C13H20N2O2 — CID 81075870

IUPAC3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide
SMILESCCC(CN)CC(=O)Nc1cccc(CO)c1
InChIInChI=1S/C13H20N2O2/c1-2-10(8-14)7-13(17)15-12-5-3-4-11(6-12)9-16/h3-6,10,16H,2,7-9,14H2,1H3,(H,15,17)
InChIKeyOEJZRZXRHQMXML-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.49
Rot. Bonds6

About 3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide

3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide (PubChem CID 81075870) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide
PubChem CID81075870
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide
SMILESCCC(CN)CC(=O)Nc1cccc(CO)c1
InChIInChI=1S/C13H20N2O2/c1-2-10(8-14)7-13(17)15-12-5-3-4-11(6-12)9-16/h3-6,10,16H,2,7-9,14H2,1H3,(H,15,17)
InChIKeyOEJZRZXRHQMXML-UHFFFAOYSA-N
XLogP1.49
TPSA75.35 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 ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
CID 81087226
3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide
CID 81075821
3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide
CID 81075705
N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide
CID 81083957
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382
3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide
CID 81087961
3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide
CID 81070538
2-[2-(aminomethyl)phenyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 81318026
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide
CID 81079486
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
3-(aminomethyl)-N-(4-iodophenyl)pentanamide
CID 81070652

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide (CID 81075870) is 3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide is CCC(CN)CC(=O)Nc1cccc(CO)c1.
What is the InChIKey of 3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide?
The InChIKey is OEJZRZXRHQMXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-10(8-14)7-13(17)15-12-5-3-4-11(6-12)9-16/h3-6,10,16H,2,7-9,14H2,1H3,(H,15,17).
What are the key properties of 3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide?
3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide has a molecular weight of 236.31 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide is sourced from PubChem (CID 81075870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).