2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide

C21H26N4O3 — CID 54831495

IUPAC2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNc2cccc(NC(=O)C(C)C)c2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-19(26)23-15-8-10-16(11-9-15)24-20(27)13-22-17-6-5-7-18(12-17)25-21(28)14(2)3/h5-12,14,22H,4,13H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyGZIXOPAGZQRRPK-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.68
Rot. Bonds8

About 2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide

2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide (PubChem CID 54831495) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
PubChem CID54831495
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNc2cccc(NC(=O)C(C)C)c2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-19(26)23-15-8-10-16(11-9-15)24-20(27)13-22-17-6-5-7-18(12-17)25-21(28)14(2)3/h5-12,14,22H,4,13H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyGZIXOPAGZQRRPK-UHFFFAOYSA-N
XLogP3.68
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54831796
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831493
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263
4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832994
N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
CID 54830466
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831626
N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833021
N-butan-2-yl-3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834956
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
CID 54814253

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide (CID 54831495) is 2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)CNc2cccc(NC(=O)C(C)C)c2)cc1.
What is the InChIKey of 2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide?
The InChIKey is GZIXOPAGZQRRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-19(26)23-15-8-10-16(11-9-15)24-20(27)13-22-17-6-5-7-18(12-17)25-21(28)14(2)3/h5-12,14,22H,4,13H2,1-3H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of 2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide?
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide has a molecular weight of 382.46 g/mol, XLogP of 3.68, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54831495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).