2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide

C24H30N4O4 — CID 4866653

IUPAC2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide
SMILESCCNC(=O)c1cccc(C(=O)NCC)c1-c1c(C(=O)NCC)cccc1C(=O)NCC
InChIInChI=1S/C24H30N4O4/c1-5-25-21(29)15-11-9-12-16(22(30)26-6-2)19(15)20-17(23(31)27-7-3)13-10-14-18(20)24(32)28-8-4/h9-14H,5-8H2,1-4H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKeyOEYSAFHPULDBKH-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.35
Rot. Bonds9

About 2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide

2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide (PubChem CID 4866653) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide
PubChem CID4866653
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide
SMILESCCNC(=O)c1cccc(C(=O)NCC)c1-c1c(C(=O)NCC)cccc1C(=O)NCC
InChIInChI=1S/C24H30N4O4/c1-5-25-21(29)15-11-9-12-16(22(30)26-6-2)19(15)20-17(23(31)27-7-3)13-10-14-18(20)24(32)28-8-4/h9-14H,5-8H2,1-4H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
InChIKeyOEYSAFHPULDBKH-UHFFFAOYSA-N
XLogP2.35
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide 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

3-amino-N-ethyl-2-phenylbenzamide
CID 171919946
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456
2-ethyl-3-(ethylcarbamoyl)benzoic acid
CID 169449850
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
2-(ethylcarbamoyl)benzoic acid;propan-2-one
CID 90945559
[2-(ethylcarbamoyl)phenyl]boronic acid
CID 77231606
N-ethyl-8-methylnaphthalene-1-carboxamide
CID 21338721
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
2-(2,6-diethylphenyl)-N-ethyl-1,3-dioxoisoindole-4-carboxamide
CID 70495171
N-ethyl-2-methyl-3-(2-methylphenyl)benzamide
CID 162214048

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide?
The IUPAC name of 2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide (CID 4866653) is 2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide is CCNC(=O)c1cccc(C(=O)NCC)c1-c1c(C(=O)NCC)cccc1C(=O)NCC.
What is the InChIKey of 2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide?
The InChIKey is OEYSAFHPULDBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-5-25-21(29)15-11-9-12-16(22(30)26-6-2)19(15)20-17(23(31)27-7-3)13-10-14-18(20)24(32)28-8-4/h9-14H,5-8H2,1-4H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32).
What are the key properties of 2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide?
2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide has a molecular weight of 438.53 g/mol, XLogP of 2.35, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(ethylcarbamoyl)phenyl]-1-N,3-N-diethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 4866653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).