N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide

C15H23N3O2 — CID 119734831

IUPACN-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide
SMILESCCNC(=O)c1cccc(CNC(=O)C(C)CNC)c1
InChIInChI=1S/C15H23N3O2/c1-4-17-15(20)13-7-5-6-12(8-13)10-18-14(19)11(2)9-16-3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyPWYGSNWLVPJPGD-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.91
Rot. Bonds7

About N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide

N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide (PubChem CID 119734831) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide
PubChem CID119734831
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide
SMILESCCNC(=O)c1cccc(CNC(=O)C(C)CNC)c1
InChIInChI=1S/C15H23N3O2/c1-4-17-15(20)13-7-5-6-12(8-13)10-18-14(19)11(2)9-16-3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyPWYGSNWLVPJPGD-UHFFFAOYSA-N
XLogP0.91
TPSA70.23 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 ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]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-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751901
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide
CID 119765648
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119862556
3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-N-ethylbenzamide;hydroiodide
CID 110917648
N-ethyl-3-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]benzamide;hydroiodide
CID 111126010
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119723323
4-methyl-N-[3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]benzamide;hydrochloride
CID 119740495
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide
CID 119734803

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide?
The IUPAC name of N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide (CID 119734831) is N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide.
What is the SMILES notation for N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide?
The canonical SMILES for N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide is CCNC(=O)c1cccc(CNC(=O)C(C)CNC)c1.
What is the InChIKey of N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide?
The InChIKey is PWYGSNWLVPJPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-17-15(20)13-7-5-6-12(8-13)10-18-14(19)11(2)9-16-3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide?
N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide has a molecular weight of 277.37 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide is sourced from PubChem (CID 119734831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).