N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide

C20H25N3O2 — CID 38773209

IUPACN-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCC(=O)Nc2c(C)cccc2C)c1C
InChIInChI=1S/C20H25N3O2/c1-5-18(24)22-17-11-7-10-16(15(17)4)21-12-19(25)23-20-13(2)8-6-9-14(20)3/h6-11,21H,5,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyVVGXGPGSSDNBSK-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.01
Rot. Bonds6

About N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide

N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide (PubChem CID 38773209) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
PubChem CID38773209
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCC(=O)Nc2c(C)cccc2C)c1C
InChIInChI=1S/C20H25N3O2/c1-5-18(24)22-17-11-7-10-16(15(17)4)21-12-19(25)23-20-13(2)8-6-9-14(20)3/h6-11,21H,5,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyVVGXGPGSSDNBSK-UHFFFAOYSA-N
XLogP4.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419
N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844990
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]propanamide
CID 54844752
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773224
N-[2-methyl-3-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]phenyl]propanamide
CID 47077586
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178
N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 32974983
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845201
N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 34078183
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide (CID 38773209) is N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide is CCC(=O)Nc1cccc(NCC(=O)Nc2c(C)cccc2C)c1C.
What is the InChIKey of N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
The InChIKey is VVGXGPGSSDNBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-18(24)22-17-11-7-10-16(15(17)4)21-12-19(25)23-20-13(2)8-6-9-14(20)3/h6-11,21H,5,12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide has a molecular weight of 339.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 38773209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).