3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide

C14H22N2O2 — CID 81086588

IUPAC3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(OC)c(C)c1
InChIInChI=1S/C14H22N2O2/c1-4-11(9-15)8-14(17)16-12-5-6-13(18-3)10(2)7-12/h5-7,11H,4,8-9,15H2,1-3H3,(H,16,17)
InChIKeyUXWPNGOLKPYUJH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.32
Rot. Bonds6

About 3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide

3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide (PubChem CID 81086588) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide
PubChem CID81086588
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(OC)c(C)c1
InChIInChI=1S/C14H22N2O2/c1-4-11(9-15)8-14(17)16-12-5-6-13(18-3)10(2)7-12/h5-7,11H,4,8-9,15H2,1-3H3,(H,16,17)
InChIKeyUXWPNGOLKPYUJH-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide
CID 81079486
3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide
CID 81087961
3-(aminomethyl)-N-(4-methyl-3-nitrophenyl)pentanamide
CID 81071699
3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
CID 81087226
3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
CID 81071989
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382
3-(aminomethyl)-N-(2-methoxy-5-sulfamoylphenyl)pentanamide
CID 81070768
3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide
CID 81260017
N-(4-acetylphenyl)-3-(aminomethyl)pentanamide
CID 81086671
3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide
CID 114839771
3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide
CID 55121493
3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide
CID 81070242

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide (CID 81086588) is 3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide is CCC(CN)CC(=O)Nc1ccc(OC)c(C)c1.
What is the InChIKey of 3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide?
The InChIKey is UXWPNGOLKPYUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11(9-15)8-14(17)16-12-5-6-13(18-3)10(2)7-12/h5-7,11H,4,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide?
3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide has a molecular weight of 250.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide is sourced from PubChem (CID 81086588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).