N-(4-acetylphenyl)-3-(aminomethyl)pentanamide

C14H20N2O2 — CID 81086671

IUPACN-(4-acetylphenyl)-3-(aminomethyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-3-11(9-15)8-14(18)16-13-6-4-12(5-7-13)10(2)17/h4-7,11H,3,8-9,15H2,1-2H3,(H,16,18)
InChIKeyKQFTYFCWVIVXDZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.20
Rot. Bonds6

About N-(4-acetylphenyl)-3-(aminomethyl)pentanamide

N-(4-acetylphenyl)-3-(aminomethyl)pentanamide (PubChem CID 81086671) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(aminomethyl)pentanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(aminomethyl)pentanamide
PubChem CID81086671
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(4-acetylphenyl)-3-(aminomethyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-3-11(9-15)8-14(18)16-13-6-4-12(5-7-13)10(2)17/h4-7,11H,3,8-9,15H2,1-2H3,(H,16,18)
InChIKeyKQFTYFCWVIVXDZ-UHFFFAOYSA-N
XLogP2.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
CID 81071989
3-(aminomethyl)-N-(4-iodophenyl)pentanamide
CID 81070652
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382
3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide
CID 81070870
3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide
CID 81070137
3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide
CID 106911721
3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
CID 81087226
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide
CID 81079486
3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide
CID 81260017
3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide
CID 81086588
3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide
CID 81072000
3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 81075870

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(aminomethyl)pentanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(aminomethyl)pentanamide (CID 81086671) is N-(4-acetylphenyl)-3-(aminomethyl)pentanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(aminomethyl)pentanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(aminomethyl)pentanamide is CCC(CN)CC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(aminomethyl)pentanamide?
The InChIKey is KQFTYFCWVIVXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-11(9-15)8-14(18)16-13-6-4-12(5-7-13)10(2)17/h4-7,11H,3,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of N-(4-acetylphenyl)-3-(aminomethyl)pentanamide?
N-(4-acetylphenyl)-3-(aminomethyl)pentanamide has a molecular weight of 248.33 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(aminomethyl)pentanamide is sourced from PubChem (CID 81086671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).