3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide

C15H23N3O2 — CID 81075705

IUPAC3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CC(CC)CN)c1
InChIInChI=1S/C15H23N3O2/c1-3-11(10-16)8-14(19)18-13-7-5-6-12(9-13)15(20)17-4-2/h5-7,9,11H,3-4,8,10,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQGZAKOYEVLWEKF-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.75
Rot. Bonds7

About 3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide

3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide (PubChem CID 81075705) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide
PubChem CID81075705
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CC(CC)CN)c1
InChIInChI=1S/C15H23N3O2/c1-3-11(10-16)8-14(19)18-13-7-5-6-12(9-13)15(20)17-4-2/h5-7,9,11H,3-4,8,10,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQGZAKOYEVLWEKF-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
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-(hydroxymethyl)phenyl]pentanamide
CID 81075870
3-acetamido-N-ethylbenzamide
CID 17230670
3-(aminomethyl)-N-(3-methylsulfonylphenyl)pentanamide
CID 81075821
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate
CID 17393277
1-O-ethyl 4-O-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (E)-but-2-enedioate
CID 9015321
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
CID 9229993
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide
CID 81079486
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382
3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide
CID 103794052

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide?
The IUPAC name of 3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide (CID 81075705) is 3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide.
What is the SMILES notation for 3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide?
The canonical SMILES for 3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)CC(CC)CN)c1.
What is the InChIKey of 3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide?
The InChIKey is QGZAKOYEVLWEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-11(10-16)8-14(19)18-13-7-5-6-12(9-13)15(20)17-4-2/h5-7,9,11H,3-4,8,10,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide?
3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide is sourced from PubChem (CID 81075705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).