2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide

C20H25N3O2 — CID 86979728

IUPAC2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)C(C)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C20H25N3O2/c1-15-9-7-8-10-17(15)13-21-20(25)16(2)23(3)14-19(24)22-18-11-5-4-6-12-18/h4-12,16H,13-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyRRBOPHBEDOBHKN-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.57
Rot. Bonds7

About 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide

2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 86979728) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide
PubChem CID86979728
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)C(C)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C20H25N3O2/c1-15-9-7-8-10-17(15)13-21-20(25)16(2)23(3)14-19(24)22-18-11-5-4-6-12-18/h4-12,16H,13-14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyRRBOPHBEDOBHKN-UHFFFAOYSA-N
XLogP2.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913207
2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 55639256
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide
CID 86979720
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658720
N-[(2-methylphenyl)methyl]-N'-phenyloxamide
CID 2174485
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 78840464
N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide
CID 42911650
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 8963893
(2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide
CID 8557644

Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide (CID 86979728) is 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CNC(=O)C(C)N(C)CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is RRBOPHBEDOBHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-9-7-8-10-17(15)13-21-20(25)16(2)23(3)14-19(24)22-18-11-5-4-6-12-18/h4-12,16H,13-14H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide?
2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 339.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 86979728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).