3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide

C21H26N2O2 — CID 35207652

IUPAC3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C21H26N2O2/c1-14(2)17-11-6-7-12-18(17)23-19(24)15-9-8-10-16(13-15)22-20(25)21(3,4)5/h6-14H,1-5H3,(H,22,25)(H,23,24)
InChIKeyPASKTEHWYWWFOD-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.05
Rot. Bonds4

About 3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide

3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 35207652) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide
PubChem CID35207652
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C21H26N2O2/c1-14(2)17-11-6-7-12-18(17)23-19(24)15-9-8-10-16(13-15)22-20(25)21(3,4)5/h6-14H,1-5H3,(H,22,25)(H,23,24)
InChIKeyPASKTEHWYWWFOD-UHFFFAOYSA-N
XLogP5.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749
3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide
CID 35186877
2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate
CID 4200241
3-(2,2-dimethylpropanoylamino)-N-(2-ethoxyphenyl)benzamide
CID 35339665
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
N-(2-propan-2-ylphenyl)benzamide
CID 723391
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 2678500
N-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35184686
2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108967343

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide (CID 35207652) is 3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is PASKTEHWYWWFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14(2)17-11-6-7-12-18(17)23-19(24)15-9-8-10-16(13-15)22-20(25)21(3,4)5/h6-14H,1-5H3,(H,22,25)(H,23,24).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide?
3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 338.45 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 35207652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).