3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide

C14H21N3O2 — CID 115432410

IUPAC3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide
SMILESCCC(CC)(CN)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C14H21N3O2/c1-3-14(4-2,9-15)13(19)17-11-7-5-6-10(8-11)12(16)18/h5-8H,3-4,9,15H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyFLSCGUHWJJRUMX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.49
Rot. Bonds6

About 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide

3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide (PubChem CID 115432410) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide
PubChem CID115432410
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide
SMILESCCC(CC)(CN)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C14H21N3O2/c1-3-14(4-2,9-15)13(19)17-11-7-5-6-10(8-11)12(16)18/h5-8H,3-4,9,15H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyFLSCGUHWJJRUMX-UHFFFAOYSA-N
XLogP1.49
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide
CID 115431854
2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide
CID 115431812
2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 115431915
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-fluorobenzamide
CID 115431791
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanoyl]amino]benzamide
CID 107811794
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide
CID 65269739
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide
CID 81484636
2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide
CID 113308965
5-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylbenzoic acid
CID 115432532
5-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-hydroxybenzoic acid
CID 115432252
3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide
CID 81490003

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide?
The IUPAC name of 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide (CID 115432410) is 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide?
The canonical SMILES for 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide is CCC(CC)(CN)C(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide?
The InChIKey is FLSCGUHWJJRUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-14(4-2,9-15)13(19)17-11-7-5-6-10(8-11)12(16)18/h5-8H,3-4,9,15H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide?
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide is sourced from PubChem (CID 115432410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).