N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide

C20H25N3O2 — CID 54816178

IUPACN-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2cccc(C)c2C)ccc1C
InChIInChI=1S/C20H25N3O2/c1-5-19(24)23-18-11-16(10-9-14(18)3)22-20(25)12-21-17-8-6-7-13(2)15(17)4/h6-11,21H,5,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyPJZMKVLBMCBNIX-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.01
Rot. Bonds6

About N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide

N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide (PubChem CID 54816178) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
PubChem CID54816178
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2cccc(C)c2C)ccc1C
InChIInChI=1S/C20H25N3O2/c1-5-19(24)23-18-11-16(10-9-14(18)3)22-20(25)12-21-17-8-6-7-13(2)15(17)4/h6-11,21H,5,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyPJZMKVLBMCBNIX-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-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845201
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972
N-[5-[[2-(2,3-dimethylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 46761130
N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 87029088
N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844990
N-[3-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 55892840
N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844937
N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
CID 55894112
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773209
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide (CID 54816178) is N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide is CCC(=O)Nc1cc(NC(=O)CNc2cccc(C)c2C)ccc1C.
What is the InChIKey of N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide?
The InChIKey is PJZMKVLBMCBNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-19(24)23-18-11-16(10-9-14(18)3)22-20(25)12-21-17-8-6-7-13(2)15(17)4/h6-11,21H,5,12H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide?
N-[5-[[2-(2,3-dimethylanilino)acetyl]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-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 54816178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).