5-methoxy-2-[(3-methoxybenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide

C27H27N3O5 — CID 118731974

IUPAC5-methoxy-2-[(3-methoxybenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OC)cc2C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C27H27N3O5/c1-34-21-7-5-6-18(16-21)26(32)29-24-14-13-22(35-2)17-23(24)27(33)28-19-9-11-20(12-10-19)30-15-4-3-8-25(30)31/h5-7,9-14,16-17H,3-4,8,15H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyNMBDPKCCDHOQJI-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.73
Rot. Bonds7

About 5-methoxy-2-[(3-methoxybenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide

5-methoxy-2-[(3-methoxybenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide (PubChem CID 118731974) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is 5-methoxy-2-[(3-methoxybenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-methoxy-2-[(3-methoxybenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
PubChem CID118731974
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Name5-methoxy-2-[(3-methoxybenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OC)cc2C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C27H27N3O5/c1-34-21-7-5-6-18(16-21)26(32)29-24-14-13-22(35-2)17-23(24)27(33)28-19-9-11-20(12-10-19)30-15-4-3-8-25(30)31/h5-7,9-14,16-17H,3-4,8,15H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyNMBDPKCCDHOQJI-UHFFFAOYSA-N
XLogP4.73
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(3-methoxybenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 5-methoxy-2-[(3-methoxybenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide (CID 118731974) is 5-methoxy-2-[(3-methoxybenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 5-methoxy-2-[(3-methoxybenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 5-methoxy-2-[(3-methoxybenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(OC)cc2C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1.
What is the InChIKey of 5-methoxy-2-[(3-methoxybenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
The InChIKey is NMBDPKCCDHOQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-34-21-7-5-6-18(16-21)26(32)29-24-14-13-22(35-2)17-23(24)27(33)28-19-9-11-20(12-10-19)30-15-4-3-8-25(30)31/h5-7,9-14,16-17H,3-4,8,15H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of 5-methoxy-2-[(3-methoxybenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide?
5-methoxy-2-[(3-methoxybenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide has a molecular weight of 473.53 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(3-methoxybenzoyl)amino]-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 118731974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).