N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide

C19H21N3O3 — CID 29404148

IUPACN-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C19H21N3O3/c1-19(2,3)18(25)22-15-6-4-5-13(11-15)17(24)21-14-9-7-12(8-10-14)16(20)23/h4-11H,1-3H3,(H2,20,23)(H,21,24)(H,22,25)
InChIKeyKAHYTXSMGMLHPW-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.02
Rot. Bonds4

About N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide

N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 29404148) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
PubChem CID29404148
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C19H21N3O3/c1-19(2,3)18(25)22-15-6-4-5-13(11-15)17(24)21-14-9-7-12(8-10-14)16(20)23/h4-11H,1-3H3,(H2,20,23)(H,21,24)(H,22,25)
InChIKeyKAHYTXSMGMLHPW-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

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
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide
CID 35781376
3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037592
3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide
CID 2849840
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-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 134057140
3-(2,2-dimethylpropanoylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 35371656
3,4-dichloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 55532232

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide (CID 29404148) is N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is KAHYTXSMGMLHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-19(2,3)18(25)22-15-6-4-5-13(11-15)17(24)21-14-9-7-12(8-10-14)16(20)23/h4-11H,1-3H3,(H2,20,23)(H,21,24)(H,22,25).
What are the key properties of N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)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 N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 29404148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).