3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide

C14H21N3O2 — CID 65229324

IUPAC3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide
SMILESCC(C)C(CN)C(=O)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C14H21N3O2/c1-9(2)12(7-15)14(19)17-8-10-4-3-5-11(6-10)13(16)18/h3-6,9,12H,7-8,15H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyDBLRWFGFVFRWGC-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.63
Rot. Bonds6

About 3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide

3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide (PubChem CID 65229324) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide
PubChem CID65229324
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide
SMILESCC(C)C(CN)C(=O)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C14H21N3O2/c1-9(2)12(7-15)14(19)17-8-10-4-3-5-11(6-10)13(16)18/h3-6,9,12H,7-8,15H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyDBLRWFGFVFRWGC-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide
CID 62669665
2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
CID 107218396
3-[(2-bromobutanoylamino)methyl]benzamide
CID 62855612
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]benzamide
CID 55586482
3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide
CID 103795148
4-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzoic acid
CID 65227428
3-[(3-aminopropanoylamino)methyl]benzamide
CID 61274334
3-[(propanoylamino)methyl]benzamide
CID 32636451
3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 61476831
3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide
CID 103743332
3-[[(2-chloroacetyl)amino]methyl]benzamide
CID 61251496

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide (CID 65229324) is 3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide is CC(C)C(CN)C(=O)NCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide?
The InChIKey is DBLRWFGFVFRWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)12(7-15)14(19)17-8-10-4-3-5-11(6-10)13(16)18/h3-6,9,12H,7-8,15H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide?
3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(aminomethyl)-3-methylbutanoyl]amino]methyl]benzamide is sourced from PubChem (CID 65229324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).