3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide

C12H18N2O2 — CID 81080185

IUPAC3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-2-9(8-13)7-12(16)14-10-5-3-4-6-11(10)15/h3-6,9,15H,2,7-8,13H2,1H3,(H,14,16)
InChIKeyFOVMSOMSATUKIL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.71
Rot. Bonds5

About 3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide

3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide (PubChem CID 81080185) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide
PubChem CID81080185
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-2-9(8-13)7-12(16)14-10-5-3-4-6-11(10)15/h3-6,9,15H,2,7-8,13H2,1H3,(H,14,16)
InChIKeyFOVMSOMSATUKIL-UHFFFAOYSA-N
XLogP1.71
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-N-[2-(trifluoromethyl)phenyl]pentanamide
CID 81071261
3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide
CID 114254689
3-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]pentanamide
CID 81070791
N-(2-aminophenyl)-3-ethylpentanamide
CID 119422237
2-[3-(aminomethyl)pentanoylamino]-6-chlorobenzoic acid
CID 81079723
3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
CID 81087226
3-(aminomethyl)-N-(4-iodophenyl)pentanamide
CID 81070652
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382
3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
CID 81071989
3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide
CID 81070870
3-(aminomethyl)-N-(4-bromo-2-fluorophenyl)pentanamide
CID 81070368
N-(4-acetylphenyl)-3-(aminomethyl)pentanamide
CID 81086671

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide (CID 81080185) is 3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide is CCC(CN)CC(=O)Nc1ccccc1O.
What is the InChIKey of 3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide?
The InChIKey is FOVMSOMSATUKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-9(8-13)7-12(16)14-10-5-3-4-6-11(10)15/h3-6,9,15H,2,7-8,13H2,1H3,(H,14,16).
What are the key properties of 3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide?
3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide has a molecular weight of 222.29 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide is sourced from PubChem (CID 81080185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).