N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide

C13H19N3O2 — CID 62637299

IUPACN,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide
SMILESCNC(C)C(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C13H19N3O2/c1-9(14-2)12(17)15-11-7-5-6-10(8-11)13(18)16(3)4/h5-9,14H,1-4H3,(H,15,17)
InChIKeyOWEOOQLICRJUTQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.93
Rot. Bonds4

About N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide

N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide (PubChem CID 62637299) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide
PubChem CID62637299
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide
SMILESCNC(C)C(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C13H19N3O2/c1-9(14-2)12(17)15-11-7-5-6-10(8-11)13(18)16(3)4/h5-9,14H,1-4H3,(H,15,17)
InChIKeyOWEOOQLICRJUTQ-UHFFFAOYSA-N
XLogP0.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
CID 46517429
N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 43043446
3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide
CID 76887735
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702
3-[2-(2,6-dimethylphenoxy)propanoylamino]-N,N-dimethylbenzamide
CID 17231878
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
3-[[(2S)-2-(4-bromophenoxy)propanoyl]amino]-N,N-dimethylbenzamide
CID 30378577
3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride
CID 119701572
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
5-[2-(methylamino)propanoylamino]benzene-1,3-dicarboxamide
CID 55096712

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide?
The IUPAC name of N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide (CID 62637299) is N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide is CNC(C)C(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide?
The InChIKey is OWEOOQLICRJUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(14-2)12(17)15-11-7-5-6-10(8-11)13(18)16(3)4/h5-9,14H,1-4H3,(H,15,17).
What are the key properties of N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide?
N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide is sourced from PubChem (CID 62637299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).