N-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide

C21H26N4O3 — CID 54839477

IUPACN-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NCC(=O)Nc2cccc(NC(=O)CC)c2C)cc1
InChIInChI=1S/C21H26N4O3/c1-4-19(26)24-17-7-6-8-18(14(17)3)25-20(27)13-23-16-11-9-15(10-12-16)21(28)22-5-2/h6-12,23H,4-5,13H2,1-3H3,(H,22,28)(H,24,26)(H,25,27)
InChIKeyQYRFLNZOWDVZHB-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.14
Rot. Bonds8

About N-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide

N-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54839477) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54839477
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NCC(=O)Nc2cccc(NC(=O)CC)c2C)cc1
InChIInChI=1S/C21H26N4O3/c1-4-19(26)24-17-7-6-8-18(14(17)3)25-20(27)13-23-16-11-9-15(10-12-16)21(28)22-5-2/h6-12,23H,4-5,13H2,1-3H3,(H,22,28)(H,24,26)(H,25,27)
InChIKeyQYRFLNZOWDVZHB-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 34078183
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54833905
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54838010
N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54839172
N-[3-[[2-[4-(azepane-1-carbonyl)anilino]acetyl]amino]-2-methylphenyl]propanamide
CID 54834973
N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839402
4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846384
N-butan-2-yl-4-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54834432
N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54839088
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830788

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide (CID 54839477) is N-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide is CCNC(=O)c1ccc(NCC(=O)Nc2cccc(NC(=O)CC)c2C)cc1.
What is the InChIKey of N-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is QYRFLNZOWDVZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-19(26)24-17-7-6-8-18(14(17)3)25-20(27)13-23-16-11-9-15(10-12-16)21(28)22-5-2/h6-12,23H,4-5,13H2,1-3H3,(H,22,28)(H,24,26)(H,25,27).
What are the key properties of N-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide?
N-ethyl-4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 382.46 g/mol, XLogP of 3.14, 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-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54839477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).