3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide

C22H22N2O2 — CID 35186877

IUPAC3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C22H22N2O2/c1-22(2,3)21(26)23-17-11-6-10-16(14-17)20(25)24-19-13-7-9-15-8-4-5-12-18(15)19/h4-14H,1-3H3,(H,23,26)(H,24,25)
InChIKeyVRCFQKOJFGVPQK-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.08
Rot. Bonds3

About 3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide

3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide (PubChem CID 35186877) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide
PubChem CID35186877
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C22H22N2O2/c1-22(2,3)21(26)23-17-11-6-10-16(14-17)20(25)24-19-13-7-9-15-8-4-5-12-18(15)19/h4-14H,1-3H3,(H,23,26)(H,24,25)
InChIKeyVRCFQKOJFGVPQK-UHFFFAOYSA-N
XLogP5.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-3-(propanoylamino)benzamide
CID 51179801
3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 35207652
2-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzoate
CID 4200241
3-(2,2-dimethylpropanoylamino)-N-(2-ethoxyphenyl)benzamide
CID 35339665
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
N-(2,5-dimethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35184686
N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35339689
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
CID 789614
N-(4-bromo-2-methylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 46523398
N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 34636649
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide (CID 35186877) is 3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cccc3ccccc23)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide?
The InChIKey is VRCFQKOJFGVPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-22(2,3)21(26)23-17-11-6-10-16(14-17)20(25)24-19-13-7-9-15-8-4-5-12-18(15)19/h4-14H,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide?
3-(2,2-dimethylpropanoylamino)-N-naphthalen-1-ylbenzamide has a molecular weight of 346.43 g/mol, XLogP of 5.08, 3 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-naphthalen-1-ylbenzamide is sourced from PubChem (CID 35186877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).