2-[(4-methylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

C20H22N2O3 — CID 2978002

IUPAC2-[(4-methylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C20H22N2O3/c1-14-8-10-15(11-9-14)19(23)22-18-7-3-2-6-17(18)20(24)21-13-16-5-4-12-25-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeySVVYZVOBFVQFKP-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.16
Rot. Bonds5

About 2-[(4-methylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

2-[(4-methylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2978002) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[(4-methylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(4-methylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2978002
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[(4-methylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C20H22N2O3/c1-14-8-10-15(11-9-14)19(23)22-18-7-3-2-6-17(18)20(24)21-13-16-5-4-12-25-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeySVVYZVOBFVQFKP-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(4-methylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (CID 2978002) is 2-[(4-methylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(4-methylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(4-methylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-[(4-methylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is SVVYZVOBFVQFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-8-10-15(11-9-14)19(23)22-18-7-3-2-6-17(18)20(24)21-13-16-5-4-12-25-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[(4-methylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
2-[(4-methylbenzoyl)amino]-N-(oxolan-2-ylmethyl)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 2-[(4-methylbenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2978002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).