2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide

C21H24N4O4 — CID 54812102

IUPAC2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
SMILESNC(=O)c1ccccc1NCC(=O)Nc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C21H24N4O4/c22-20(27)17-8-1-2-9-18(17)23-13-19(26)25-15-6-3-5-14(11-15)21(28)24-12-16-7-4-10-29-16/h1-3,5-6,8-9,11,16,23H,4,7,10,12-13H2,(H2,22,27)(H,24,28)(H,25,26)
InChIKeyRTWNQQBGJLZEOQ-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.74
Rot. Bonds8

About 2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide

2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide (PubChem CID 54812102) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
PubChem CID54812102
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
SMILESNC(=O)c1ccccc1NCC(=O)Nc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C21H24N4O4/c22-20(27)17-8-1-2-9-18(17)23-13-19(26)25-15-6-3-5-14(11-15)21(28)24-12-16-7-4-10-29-16/h1-3,5-6,8-9,11,16,23H,4,7,10,12-13H2,(H2,22,27)(H,24,28)(H,25,26)
InChIKeyRTWNQQBGJLZEOQ-UHFFFAOYSA-N
XLogP1.74
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54817562
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54837162
3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837138
3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837036
3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813901
2-[(3-benzamidobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321274
3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54812361
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836981
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842128

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide?
The IUPAC name of 2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide (CID 54812102) is 2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide.
What is the SMILES notation for 2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide?
The canonical SMILES for 2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide is NC(=O)c1ccccc1NCC(=O)Nc1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide?
The InChIKey is RTWNQQBGJLZEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c22-20(27)17-8-1-2-9-18(17)23-13-19(26)25-15-6-3-5-14(11-15)21(28)24-12-16-7-4-10-29-16/h1-3,5-6,8-9,11,16,23H,4,7,10,12-13H2,(H2,22,27)(H,24,28)(H,25,26).
What are the key properties of 2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide?
2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide has a molecular weight of 396.45 g/mol, XLogP of 1.74, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54812102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).