2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide

C28H30N2O5 — CID 55932192

IUPAC2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(COCC3CCCCO3)c2)cc1
InChIInChI=1S/C28H30N2O5/c1-33-23-14-12-21(13-15-23)27(31)30-26-11-3-2-10-25(26)28(32)29-22-8-6-7-20(17-22)18-34-19-24-9-4-5-16-35-24/h2-3,6-8,10-15,17,24H,4-5,9,16,18-19H2,1H3,(H,29,32)(H,30,31)
InChIKeyHMAFYQANRHZURZ-UHFFFAOYSA-N
MW474.56 g/mol
LogP5.29
Rot. Bonds9

About 2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide

2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide (PubChem CID 55932192) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
PubChem CID55932192
Molecular FormulaC28H30N2O5
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(COCC3CCCCO3)c2)cc1
InChIInChI=1S/C28H30N2O5/c1-33-23-14-12-21(13-15-23)27(31)30-26-11-3-2-10-25(26)28(32)29-22-8-6-7-20(17-22)18-34-19-24-9-4-5-16-35-24/h2-3,6-8,10-15,17,24H,4-5,9,16,18-19H2,1H3,(H,29,32)(H,30,31)
InChIKeyHMAFYQANRHZURZ-UHFFFAOYSA-N
XLogP5.29
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 47066120
N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide
CID 96562652
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 55807172
N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 97011567
N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935210
(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide
CID 94111035
N-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 71893064
2,4-difluoro-6-hydroxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 71883387
2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118883
N-cyclopentyl-2-[[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzamide
CID 31287648
1-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-3-propan-2-ylthiourea
CID 94587170
N-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119680052

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide (CID 55932192) is 2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(COCC3CCCCO3)c2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide?
The InChIKey is HMAFYQANRHZURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-33-23-14-12-21(13-15-23)27(31)30-26-11-3-2-10-25(26)28(32)29-22-8-6-7-20(17-22)18-34-19-24-9-4-5-16-35-24/h2-3,6-8,10-15,17,24H,4-5,9,16,18-19H2,1H3,(H,29,32)(H,30,31).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide?
2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide has a molecular weight of 474.56 g/mol, XLogP of 5.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide is sourced from PubChem (CID 55932192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).