3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide

C24H30N4O4 — CID 54838784

IUPAC3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)c1
InChIInChI=1S/C24H30N4O4/c1-2-12-25-24(31)18-5-3-6-20(14-18)26-16-22(29)28-19-10-8-17(9-11-19)23(30)27-15-21-7-4-13-32-21/h3,5-6,8-11,14,21,26H,2,4,7,12-13,15-16H2,1H3,(H,25,31)(H,27,30)(H,28,29)
InChIKeyJLHZCBBMRASWOS-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.79
Rot. Bonds10

About 3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide

3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide (PubChem CID 54838784) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide
PubChem CID54838784
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)c1
InChIInChI=1S/C24H30N4O4/c1-2-12-25-24(31)18-5-3-6-20(14-18)26-16-22(29)28-19-10-8-17(9-11-19)23(30)27-15-21-7-4-13-32-21/h3,5-6,8-11,14,21,26H,2,4,7,12-13,15-16H2,1H3,(H,25,31)(H,27,30)(H,28,29)
InChIKeyJLHZCBBMRASWOS-UHFFFAOYSA-N
XLogP2.79
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836981
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837074
3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54818429
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836925
3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837003
4-[[2-(3,5-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813138
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54837066
3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54812361
3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837138
N-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
CID 54811884

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide (CID 54838784) is 3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)c1.
What is the InChIKey of 3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide?
The InChIKey is JLHZCBBMRASWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-2-12-25-24(31)18-5-3-6-20(14-18)26-16-22(29)28-19-10-8-17(9-11-19)23(30)27-15-21-7-4-13-32-21/h3,5-6,8-11,14,21,26H,2,4,7,12-13,15-16H2,1H3,(H,25,31)(H,27,30)(H,28,29).
What are the key properties of 3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide?
3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide has a molecular weight of 438.53 g/mol, XLogP of 2.79, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54838784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).