N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide

C21H26N4O3 — CID 54831796

IUPACN-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CNc2cccc(NC(=O)C(C)C)c2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-22-21(28)15-8-10-16(11-9-15)24-19(26)13-23-17-6-5-7-18(12-17)25-20(27)14(2)3/h5-12,14,23H,4,13H2,1-3H3,(H,22,28)(H,24,26)(H,25,27)
InChIKeyMNSUNRZFESDXCR-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.08
Rot. Bonds8

About N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide

N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide (PubChem CID 54831796) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide
PubChem CID54831796
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CNc2cccc(NC(=O)C(C)C)c2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-22-21(28)15-8-10-16(11-9-15)24-19(26)13-23-17-6-5-7-18(12-17)25-20(27)14(2)3/h5-12,14,23H,4,13H2,1-3H3,(H,22,28)(H,24,26)(H,25,27)
InChIKeyMNSUNRZFESDXCR-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54837724
N-butyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54833570
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831493
4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
CID 55635839
4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832994
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
N-butan-2-yl-3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834956
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide?
The IUPAC name of N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide (CID 54831796) is N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide is CCNC(=O)c1ccc(NC(=O)CNc2cccc(NC(=O)C(C)C)c2)cc1.
What is the InChIKey of N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide?
The InChIKey is MNSUNRZFESDXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-22-21(28)15-8-10-16(11-9-15)24-19(26)13-23-17-6-5-7-18(12-17)25-20(27)14(2)3/h5-12,14,23H,4,13H2,1-3H3,(H,22,28)(H,24,26)(H,25,27).
What are the key properties of N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide?
N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide has a molecular weight of 382.46 g/mol, XLogP of 3.08, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-[3-(2-methylpropanoylamino)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54831796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).