3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide

C29H32N4O4 — CID 54842128

IUPAC3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)c1)c1ccccc1
InChIInChI=1S/C29H32N4O4/c1-20(21-8-3-2-4-9-21)32-29(36)23-11-5-12-24(16-23)30-19-27(34)33-25-13-6-10-22(17-25)28(35)31-18-26-14-7-15-37-26/h2-6,8-13,16-17,20,26,30H,7,14-15,18-19H2,1H3,(H,31,35)(H,32,36)(H,33,34)
InChIKeyCMAQDBUOFJNDTQ-UHFFFAOYSA-N
MW500.60 g/mol
LogP4.14
Rot. Bonds10

About 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide

3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54842128) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54842128
Molecular FormulaC29H32N4O4
Molecular Weight500.60 g/mol
Exact Mass500.24
IUPAC Name3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)c1)c1ccccc1
InChIInChI=1S/C29H32N4O4/c1-20(21-8-3-2-4-9-21)32-29(36)23-11-5-12-24(16-23)30-19-27(34)33-25-13-6-10-22(17-25)28(35)31-18-26-14-7-15-37-26/h2-6,8-13,16-17,20,26,30H,7,14-15,18-19H2,1H3,(H,31,35)(H,32,36)(H,33,34)
InChIKeyCMAQDBUOFJNDTQ-UHFFFAOYSA-N
XLogP4.14
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 54.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54836830
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837074
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]benzamide
CID 54842684
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54829445
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54837162
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
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-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842054
3-[[2-(4-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54812361

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide (CID 54842128) is 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)c1)c1ccccc1.
What is the InChIKey of 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is CMAQDBUOFJNDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-20(21-8-3-2-4-9-21)32-29(36)23-11-5-12-24(16-23)30-19-27(34)33-25-13-6-10-22(17-25)28(35)31-18-26-14-7-15-37-26/h2-6,8-13,16-17,20,26,30H,7,14-15,18-19H2,1H3,(H,31,35)(H,32,36)(H,33,34).
What are the key properties of 3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide?
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 500.60 g/mol, XLogP of 4.14, 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-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54842128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).