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

C21H24N4O4 — CID 54842684

IUPAC3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
SMILESNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C21H24N4O4/c22-20(27)14-4-1-6-16(10-14)23-13-19(26)25-17-7-2-5-15(11-17)21(28)24-12-18-8-3-9-29-18/h1-2,4-7,10-11,18,23H,3,8-9,12-13H2,(H2,22,27)(H,24,28)(H,25,26)
InChIKeyFXWXDWUVFZXHLI-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.74
Rot. Bonds8

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

3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide (PubChem CID 54842684) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
PubChem CID54842684
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
SMILESNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C21H24N4O4/c22-20(27)14-4-1-6-16(10-14)23-13-19(26)25-17-7-2-5-15(11-17)21(28)24-12-18-8-3-9-29-18/h1-2,4-7,10-11,18,23H,3,8-9,12-13H2,(H2,22,27)(H,24,28)(H,25,26)
InChIKeyFXWXDWUVFZXHLI-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

2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54812102
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836981
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105
3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54812361
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54837066
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842128
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837074
3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838784
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-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837003

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide?
The IUPAC name of 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide (CID 54842684) is 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide.
What is the SMILES notation for 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide?
The canonical SMILES for 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide is NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)c1.
What is the InChIKey of 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide?
The InChIKey is FXWXDWUVFZXHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c22-20(27)14-4-1-6-16(10-14)23-13-19(26)25-17-7-2-5-15(11-17)21(28)24-12-18-8-3-9-29-18/h1-2,4-7,10-11,18,23H,3,8-9,12-13H2,(H2,22,27)(H,24,28)(H,25,26).
What are the key properties of 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide?
3-[[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 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54842684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).