3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide

C13H19N3O2 — CID 55105612

IUPAC3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
SMILESCNC(=O)Cc1ccccc1NC(=O)C(C)CN
InChIInChI=1S/C13H19N3O2/c1-9(8-14)13(18)16-11-6-4-3-5-10(11)7-12(17)15-2/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySMMAHHAZLWQEKN-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.51
Rot. Bonds5

About 3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide

3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide (PubChem CID 55105612) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
PubChem CID55105612
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
SMILESCNC(=O)Cc1ccccc1NC(=O)C(C)CN
InChIInChI=1S/C13H19N3O2/c1-9(8-14)13(18)16-11-6-4-3-5-10(11)7-12(17)15-2/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySMMAHHAZLWQEKN-UHFFFAOYSA-N
XLogP0.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43704976
N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide
CID 43692244
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
CID 65464427
3-amino-N-(2-hydroxy-3-methylphenyl)-2-methylpropanamide
CID 79602866
2-methyl-2-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55121879
3-amino-N-(2,3-dichlorophenyl)-2-methylpropanamide
CID 62669970
N-methyl-2-[2-(sulfamoylamino)phenyl]acetamide
CID 112573434
4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 63307585
N-[2-(bromomethyl)phenyl]-2-methylpentanamide
CID 114309617
2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide
CID 55086327
5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide
CID 114014721

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
The IUPAC name of 3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide (CID 55105612) is 3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide is CNC(=O)Cc1ccccc1NC(=O)C(C)CN.
What is the InChIKey of 3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
The InChIKey is SMMAHHAZLWQEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(8-14)13(18)16-11-6-4-3-5-10(11)7-12(17)15-2/h3-6,9H,7-8,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide has a molecular weight of 249.31 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide is sourced from PubChem (CID 55105612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).