3-(5,7-dimethoxy-2-oxo-4-phenylchromen-8-yl)-N,N-diethyl-3-(3,4,5-trimethoxyphenyl)propanamide

C33H37NO8 — CID 16746297

IUPAC3-(5,7-dimethoxy-2-oxo-4-phenylchromen-8-yl)-N,N-diethyl-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCCN(CC)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc12
InChIInChI=1S/C33H37NO8/c1-8-34(9-2)28(35)17-22(21-15-26(39-5)32(41-7)27(16-21)40-6)30-24(37-3)19-25(38-4)31-23(18-29(36)42-33(30)31)20-13-11-10-12-14-20/h10-16,18-19,22H,8-9,17H2,1-7H3
InChIKeyNSBWEIJFFUYGSD-UHFFFAOYSA-N
MW575.66 g/mol
LogP5.89
Rot. Bonds12

About 3-(5,7-dimethoxy-2-oxo-4-phenylchromen-8-yl)-N,N-diethyl-3-(3,4,5-trimethoxyphenyl)propanamide

3-(5,7-dimethoxy-2-oxo-4-phenylchromen-8-yl)-N,N-diethyl-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 16746297) has the molecular formula C33H37NO8 and a molecular weight of 575.66 g/mol. Its IUPAC name is 3-(5,7-dimethoxy-2-oxo-4-phenylchromen-8-yl)-N,N-diethyl-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(5,7-dimethoxy-2-oxo-4-phenylchromen-8-yl)-N,N-diethyl-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID16746297
Molecular FormulaC33H37NO8
Molecular Weight575.66 g/mol
Exact Mass575.25
IUPAC Name3-(5,7-dimethoxy-2-oxo-4-phenylchromen-8-yl)-N,N-diethyl-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCCN(CC)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc12
InChIInChI=1S/C33H37NO8/c1-8-34(9-2)28(35)17-22(21-15-26(39-5)32(41-7)27(16-21)40-6)30-24(37-3)19-25(38-4)31-23(18-29(36)42-33(30)31)20-13-11-10-12-14-20/h10-16,18-19,22H,8-9,17H2,1-7H3
InChIKeyNSBWEIJFFUYGSD-UHFFFAOYSA-N
XLogP5.89
TPSA96.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.66
LogP ≤ 55.89
H-Bond Donors ≤ 50
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 3-(5,7-dimethoxy-2-oxo-4-phenylchromen-8-yl)-N,N-diethyl-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-(5,7-dimethoxy-2-oxo-4-phenylchromen-8-yl)-N,N-diethyl-3-(3,4,5-trimethoxyphenyl)propanamide (CID 16746297) is 3-(5,7-dimethoxy-2-oxo-4-phenylchromen-8-yl)-N,N-diethyl-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(5,7-dimethoxy-2-oxo-4-phenylchromen-8-yl)-N,N-diethyl-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-(5,7-dimethoxy-2-oxo-4-phenylchromen-8-yl)-N,N-diethyl-3-(3,4,5-trimethoxyphenyl)propanamide is CCN(CC)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc12.
What is the InChIKey of 3-(5,7-dimethoxy-2-oxo-4-phenylchromen-8-yl)-N,N-diethyl-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is NSBWEIJFFUYGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37NO8/c1-8-34(9-2)28(35)17-22(21-15-26(39-5)32(41-7)27(16-21)40-6)30-24(37-3)19-25(38-4)31-23(18-29(36)42-33(30)31)20-13-11-10-12-14-20/h10-16,18-19,22H,8-9,17H2,1-7H3.
What are the key properties of 3-(5,7-dimethoxy-2-oxo-4-phenylchromen-8-yl)-N,N-diethyl-3-(3,4,5-trimethoxyphenyl)propanamide?
3-(5,7-dimethoxy-2-oxo-4-phenylchromen-8-yl)-N,N-diethyl-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 575.66 g/mol, XLogP of 5.89, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethoxy-2-oxo-4-phenylchromen-8-yl)-N,N-diethyl-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 16746297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).