3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide

C22H28N4O3 — CID 54837721

IUPAC3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)c1
InChIInChI=1S/C22H28N4O3/c1-4-23-21(28)16-9-7-11-18(13-16)24-15-20(27)25-19-12-8-10-17(14-19)22(29)26(5-2)6-3/h7-14,24H,4-6,15H2,1-3H3,(H,23,28)(H,25,27)
InChIKeyRJFALWTVIDSSFP-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.97
Rot. Bonds9

About 3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide

3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide (PubChem CID 54837721) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
PubChem CID54837721
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)c1
InChIInChI=1S/C22H28N4O3/c1-4-23-21(28)16-9-7-11-18(13-16)24-15-20(27)25-19-12-8-10-17(14-19)22(29)26(5-2)6-3/h7-14,24H,4-6,15H2,1-3H3,(H,23,28)(H,25,27)
InChIKeyRJFALWTVIDSSFP-UHFFFAOYSA-N
XLogP2.97
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832690
N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835017
N-ethyl-3-[[2-[3-[ethyl(phenyl)carbamoyl]anilino]acetyl]amino]benzamide
CID 54839058
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832742
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832743
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26712597
3-[[2-[4-(diethylcarbamoyl)anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54833883
N,N-diethyl-3-[[2-[4-(2-methoxyethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54836242
N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54832534

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide (CID 54837721) is 3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)c1.
What is the InChIKey of 3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide?
The InChIKey is RJFALWTVIDSSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-4-23-21(28)16-9-7-11-18(13-16)24-15-20(27)25-19-12-8-10-17(14-19)22(29)26(5-2)6-3/h7-14,24H,4-6,15H2,1-3H3,(H,23,28)(H,25,27).
What are the key properties of 3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide?
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 2.97, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 54837721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).