3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide

C17H27N3O2 — CID 120828073

IUPAC3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
SMILESCNC(C)CNC(=O)C(NC(=O)c1cccc(C)c1)C(C)C
InChIInChI=1S/C17H27N3O2/c1-11(2)15(17(22)19-10-13(4)18-5)20-16(21)14-8-6-7-12(3)9-14/h6-9,11,13,15,18H,10H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyAPNCOTCESMDTQD-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.47
Rot. Bonds7

About 3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide

3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide (PubChem CID 120828073) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
PubChem CID120828073
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
SMILESCNC(C)CNC(=O)C(NC(=O)c1cccc(C)c1)C(C)C
InChIInChI=1S/C17H27N3O2/c1-11(2)15(17(22)19-10-13(4)18-5)20-16(21)14-8-6-7-12(3)9-14/h6-9,11,13,15,18H,10H2,1-5H3,(H,19,22)(H,20,21)
InChIKeyAPNCOTCESMDTQD-UHFFFAOYSA-N
XLogP1.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]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

N-[1-[(3-amino-2-methylpropyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 119997662
N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 78856876
3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51148319
N-[(2R)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 39964519
N-[1-(3-acetamido-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 134019283
N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 134023152
N-[1-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46476036
3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide
CID 112762442
3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 3919452
N-[1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46532478
N-[1-[2-(2-methoxyphenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46419166
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55335504

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide (CID 120828073) is 3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide is CNC(C)CNC(=O)C(NC(=O)c1cccc(C)c1)C(C)C.
What is the InChIKey of 3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide?
The InChIKey is APNCOTCESMDTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-11(2)15(17(22)19-10-13(4)18-5)20-16(21)14-8-6-7-12(3)9-14/h6-9,11,13,15,18H,10H2,1-5H3,(H,19,22)(H,20,21).
What are the key properties of 3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide?
3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide has a molecular weight of 305.42 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 120828073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).