4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide

C22H28N4O3 — CID 60561506

IUPAC4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NC(C)C)cc2C)c1
InChIInChI=1S/C22H28N4O3/c1-5-23-21(28)16-7-6-8-18(12-16)26-20(27)13-24-19-10-9-17(11-15(19)4)22(29)25-14(2)3/h6-12,14,24H,5,13H2,1-4H3,(H,23,28)(H,25,29)(H,26,27)
InChIKeyWHUYJTFTHNNJKN-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.93
Rot. Bonds8

About 4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide

4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide (PubChem CID 60561506) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
PubChem CID60561506
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NC(C)C)cc2C)c1
InChIInChI=1S/C22H28N4O3/c1-5-23-21(28)16-7-6-8-18(12-16)26-20(27)13-24-19-10-9-17(11-15(19)4)22(29)25-14(2)3/h6-12,14,24H,5,13H2,1-4H3,(H,23,28)(H,25,29)(H,26,27)
InChIKeyWHUYJTFTHNNJKN-UHFFFAOYSA-N
XLogP2.93
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
3-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54830817
N-butyl-3-[[2-oxo-2-[3-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833779
3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54831948
3-[[2-(naphthalen-1-ylamino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54809027
N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 34078183
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
3-[[2-(3,5-dichloroanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54813153
4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
CID 55988825
3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N-ethylbenzamide
CID 51225156
methyl 4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]benzoate
CID 54833405
4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832994

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide (CID 60561506) is 4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide is CCNC(=O)c1cccc(NC(=O)CNc2ccc(C(=O)NC(C)C)cc2C)c1.
What is the InChIKey of 4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide?
The InChIKey is WHUYJTFTHNNJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-5-23-21(28)16-7-6-8-18(12-16)26-20(27)13-24-19-10-9-17(11-15(19)4)22(29)25-14(2)3/h6-12,14,24H,5,13H2,1-4H3,(H,23,28)(H,25,29)(H,26,27).
What are the key properties of 4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide?
4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 2.93, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 60561506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).