3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide

C20H23N3O3 — CID 134050295

IUPAC3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1
InChIInChI=1S/C20H23N3O3/c1-20(2,3)19(26)23-16-10-6-8-14(12-16)18(25)22-15-9-5-7-13(11-15)17(24)21-4/h5-12H,1-4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyMOLORHVYBCRCDG-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.28
Rot. Bonds4

About 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide

3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide (PubChem CID 134050295) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
PubChem CID134050295
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1
InChIInChI=1S/C20H23N3O3/c1-20(2,3)19(26)23-16-10-6-8-14(12-16)18(25)22-15-9-5-7-13(11-15)17(24)21-4/h5-12H,1-4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyMOLORHVYBCRCDG-UHFFFAOYSA-N
XLogP3.28
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
CID 17171661
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N-methylbenzamide
CID 63678627
3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 17102477
3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide
CID 2849840
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35339689
3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide
CID 33171708
3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide
CID 35781376

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide (CID 134050295) is 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1.
What is the InChIKey of 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide?
The InChIKey is MOLORHVYBCRCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-20(2,3)19(26)23-16-10-6-8-14(12-16)18(25)22-15-9-5-7-13(11-15)17(24)21-4/h5-12H,1-4H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide?
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide has a molecular weight of 353.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide is sourced from PubChem (CID 134050295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).