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

C20H22N2O4 — CID 2941677

IUPAC2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C20H22N2O4/c1-25-15-10-8-14(9-11-15)19(23)22-18-7-3-2-6-17(18)20(24)21-13-16-5-4-12-26-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyDQPWMPNODHNALR-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.86
Rot. Bonds6

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

2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2941677) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2941677
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C20H22N2O4/c1-25-15-10-8-14(9-11-15)19(23)22-18-7-3-2-6-17(18)20(24)21-13-16-5-4-12-26-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyDQPWMPNODHNALR-UHFFFAOYSA-N
XLogP2.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (CID 2941677) is 2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is DQPWMPNODHNALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-15-10-8-14(9-11-15)19(23)22-18-7-3-2-6-17(18)20(24)21-13-16-5-4-12-26-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2941677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).