4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide

C17H24N2O3 — CID 3540035

IUPAC4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)16(21)19-13-8-6-12(7-9-13)15(20)18-11-14-5-4-10-22-14/h6-9,14H,4-5,10-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJNOVBOHSWIHFKC-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.58
Rot. Bonds4

About 4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide

4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3540035) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID3540035
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)16(21)19-13-8-6-12(7-9-13)15(20)18-11-14-5-4-10-22-14/h6-9,14H,4-5,10-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJNOVBOHSWIHFKC-UHFFFAOYSA-N
XLogP2.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1292661
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
4-(acetylcarbamothioylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42427582
5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 53110215
4-[[2-(3,5-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813138
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54818429
methyl 4-[[2,2-dimethyl-3-oxo-3-(oxolan-2-ylmethylamino)propanoyl]amino]benzoate
CID 108960123
methyl 4-oxo-4-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 42580218
N-(oxolan-2-ylmethyl)-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
CID 54811884

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide (CID 3540035) is 4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide is CC(C)(C)C(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is JNOVBOHSWIHFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)16(21)19-13-8-6-12(7-9-13)15(20)18-11-14-5-4-10-22-14/h6-9,14H,4-5,10-11H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide?
4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 304.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3540035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).