3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide

C19H21N3O3 — CID 17297099

IUPAC3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C19H21N3O3/c1-19(2,3)18(25)22-15-9-5-7-13(11-15)17(24)21-14-8-4-6-12(10-14)16(20)23/h4-11H,1-3H3,(H2,20,23)(H,21,24)(H,22,25)
InChIKeyLVNWUVMREICJCF-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.02
Rot. Bonds4

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

3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide (PubChem CID 17297099) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
PubChem CID17297099
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C19H21N3O3/c1-19(2,3)18(25)22-15-9-5-7-13(11-15)17(24)21-14-8-4-6-12(10-14)16(20)23/h4-11H,1-3H3,(H2,20,23)(H,21,24)(H,22,25)
InChIKeyLVNWUVMREICJCF-UHFFFAOYSA-N
XLogP3.02
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
CID 17171661
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-amino-2,2,3-trimethylbutanoyl)amino]benzamide
CID 65269739
3-[(3-hydroxybenzoyl)amino]benzamide
CID 103605136
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]benzamide?
The IUPAC name of 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide (CID 17297099) is 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide.
What is the SMILES notation for 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide?
The canonical SMILES for 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide?
The InChIKey is LVNWUVMREICJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-19(2,3)18(25)22-15-9-5-7-13(11-15)17(24)21-14-8-4-6-12(10-14)16(20)23/h4-11H,1-3H3,(H2,20,23)(H,21,24)(H,22,25).
What are the key properties of 3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide?
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide has a molecular weight of 339.40 g/mol, XLogP of 3.02, 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]benzamide is sourced from PubChem (CID 17297099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).