4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide

C20H22N2O3 — CID 2969540

IUPAC4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C20H22N2O3/c1-14-4-6-16(7-5-14)20(24)22-17-10-8-15(9-11-17)19(23)21-13-18-3-2-12-25-18/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyKDRNWGQMVWFZMZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.16
Rot. Bonds5

About 4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide

4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 2969540) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID2969540
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1
InChIInChI=1S/C20H22N2O3/c1-14-4-6-16(7-5-14)20(24)22-17-10-8-15(9-11-17)19(23)21-13-18-3-2-12-25-18/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyKDRNWGQMVWFZMZ-UHFFFAOYSA-N
XLogP3.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.16
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
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
3-iodo-4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205667
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 3540035
4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083312
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682
4-[[2-(3,5-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813138
4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1292661
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
1-[4-[(4-methylbenzoyl)amino]phenyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089029
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-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide (CID 2969540) is 4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is KDRNWGQMVWFZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-4-6-16(7-5-14)20(24)22-17-10-8-15(9-11-17)19(23)21-13-18-3-2-12-25-18/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 2969540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).