4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide

C30H30N2O7 — CID 46873196

IUPAC4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CCCNC5)c(OC)c4oc3=O)ccc2OC)c1
InChIInChI=1S/C30H30N2O7/c1-35-21-7-4-6-18(14-21)23-15-20(10-11-25(23)36-2)29(33)32-24-16-19-9-12-26(38-22-8-5-13-31-17-22)28(37-3)27(19)39-30(24)34/h4,6-7,9-12,14-16,22,31H,5,8,13,17H2,1-3H3,(H,32,33)
InChIKeyDDUHJXGGHKQDRH-UHFFFAOYSA-N
MW530.58 g/mol
LogP4.87
Rot. Bonds8

About 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide

4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide (PubChem CID 46873196) has the molecular formula C30H30N2O7 and a molecular weight of 530.58 g/mol. Its IUPAC name is 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide
PubChem CID46873196
Molecular FormulaC30H30N2O7
Molecular Weight530.58 g/mol
Exact Mass530.21
IUPAC Name4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CCCNC5)c(OC)c4oc3=O)ccc2OC)c1
InChIInChI=1S/C30H30N2O7/c1-35-21-7-4-6-18(14-21)23-15-20(10-11-25(23)36-2)29(33)32-24-16-19-9-12-26(38-22-8-5-13-31-17-22)28(37-3)27(19)39-30(24)34/h4,6-7,9-12,14-16,22,31H,5,8,13,17H2,1-3H3,(H,32,33)
InChIKeyDDUHJXGGHKQDRH-UHFFFAOYSA-N
XLogP4.87
TPSA108.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.58
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide?
The IUPAC name of 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide (CID 46873196) is 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide?
The canonical SMILES for 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide is COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CCCNC5)c(OC)c4oc3=O)ccc2OC)c1.
What is the InChIKey of 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide?
The InChIKey is DDUHJXGGHKQDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O7/c1-35-21-7-4-6-18(14-21)23-15-20(10-11-25(23)36-2)29(33)32-24-16-19-9-12-26(38-22-8-5-13-31-17-22)28(37-3)27(19)39-30(24)34/h4,6-7,9-12,14-16,22,31H,5,8,13,17H2,1-3H3,(H,32,33).
What are the key properties of 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide?
4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide has a molecular weight of 530.58 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 46873196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).