3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide

C19H22N4O3 — CID 54842589

IUPAC3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)CNc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C19H22N4O3/c1-12(2)22-19(26)13-6-8-15(9-7-13)23-17(24)11-21-16-5-3-4-14(10-16)18(20)25/h3-10,12,21H,11H2,1-2H3,(H2,20,25)(H,22,26)(H,23,24)
InChIKeyLNVZINSYBGRLLN-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.97
Rot. Bonds7

About 3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide

3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide (PubChem CID 54842589) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
PubChem CID54842589
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)CNc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C19H22N4O3/c1-12(2)22-19(26)13-6-8-15(9-7-13)23-17(24)11-21-16-5-3-4-14(10-16)18(20)25/h3-10,12,21H,11H2,1-2H3,(H2,20,25)(H,22,26)(H,23,24)
InChIKeyLNVZINSYBGRLLN-UHFFFAOYSA-N
XLogP1.97
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]benzoate
CID 54833405
4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832994
3-methyl-N-[4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54833495
4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843470
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54829387
methyl 3-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]benzoate
CID 36587024
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840781
3-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54830817
3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54831948
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837074

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide?
The IUPAC name of 3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide (CID 54842589) is 3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide.
What is the SMILES notation for 3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide?
The canonical SMILES for 3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide is CC(C)NC(=O)c1ccc(NC(=O)CNc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide?
The InChIKey is LNVZINSYBGRLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12(2)22-19(26)13-6-8-15(9-7-13)23-17(24)11-21-16-5-3-4-14(10-16)18(20)25/h3-10,12,21H,11H2,1-2H3,(H2,20,25)(H,22,26)(H,23,24).
What are the key properties of 3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide?
3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide has a molecular weight of 354.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54842589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).