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

C15H23N3O2 — CID 81087226

IUPAC3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CC(CC)CN)c1
InChIInChI=1S/C15H23N3O2/c1-3-11(10-16)8-15(20)18-13-7-5-6-12(9-13)17-14(19)4-2/h5-7,9,11H,3-4,8,10,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGAQIQLFPOZEMJP-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.35
Rot. Bonds7

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

3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide (PubChem CID 81087226) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
PubChem CID81087226
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CC(CC)CN)c1
InChIInChI=1S/C15H23N3O2/c1-3-11(10-16)8-15(20)18-13-7-5-6-12(9-13)17-14(19)4-2/h5-7,9,11H,3-4,8,10,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGAQIQLFPOZEMJP-UHFFFAOYSA-N
XLogP2.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(aminomethyl)pentanoylamino]phenyl]cyclopropanecarboxamide
CID 81083957
3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 81075870
4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
CID 81087317
3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide
CID 81075821
3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide
CID 81075705
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382
3-(aminomethyl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]pentanamide
CID 81070538
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide
CID 81079486
3-(aminomethyl)-N-(4-iodophenyl)pentanamide
CID 81070652
3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide
CID 81260017
3-(aminomethyl)-N-(3-chlorophenyl)hexanamide
CID 112516422

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide (CID 81087226) is 3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide is CCC(=O)Nc1cccc(NC(=O)CC(CC)CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide?
The InChIKey is GAQIQLFPOZEMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-11(10-16)8-15(20)18-13-7-5-6-12(9-13)17-14(19)4-2/h5-7,9,11H,3-4,8,10,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide?
3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide has a molecular weight of 277.37 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide is sourced from PubChem (CID 81087226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).