N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide

C13H19N3O2 — CID 106916885

IUPACN-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1ccccc1NC
InChIInChI=1S/C13H19N3O2/c1-14-11-7-5-4-6-10(11)13(18)16(3)9-8-12(17)15-2/h4-7,14H,8-9H2,1-3H3,(H,15,17)
InChIKeyNHOMGCJVNITQLE-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.94
Rot. Bonds5

About N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide

N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 106916885) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
PubChem CID106916885
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)CCN(C)C(=O)c1ccccc1NC
InChIInChI=1S/C13H19N3O2/c1-14-11-7-5-4-6-10(11)13(18)16(3)9-8-12(17)15-2/h4-7,14H,8-9H2,1-3H3,(H,15,17)
InChIKeyNHOMGCJVNITQLE-UHFFFAOYSA-N
XLogP0.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(methylamino)-N-pentylbenzamide
CID 61375902
N-methyl-2-(methylamino)-N-(3-methylbutyl)benzamide
CID 61377480
3-amino-2-methoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913762
3-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106915192
N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 60670598
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-2-(methylamino)benzamide
CID 61377669
4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103820438
3-[[2-(2,2-dimethylpropanoylamino)benzoyl]-methylamino]propanoic acid
CID 119362237
5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913729
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(propylamino)benzamide
CID 63107687
methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate
CID 63108513
2-bromo-5-iodo-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113363621

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide (CID 106916885) is N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)CCN(C)C(=O)c1ccccc1NC.
What is the InChIKey of N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is NHOMGCJVNITQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-14-11-7-5-4-6-10(11)13(18)16(3)9-8-12(17)15-2/h4-7,14H,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide?
N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 106916885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).