N-[7-[3-(dimethylamino)propoxy]-6-methoxy-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide

C28H34N2O6 — CID 53261053

IUPACN-[7-[3-(dimethylamino)propoxy]-6-methoxy-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide
SMILESCOc1cc2cc(NC(=O)c3ccc(O)c(CC=C(C)C)c3)c(=O)oc2c(C)c1OCCCN(C)C
InChIInChI=1S/C28H34N2O6/c1-17(2)8-9-19-14-20(10-11-23(19)31)27(32)29-22-15-21-16-24(34-6)26(35-13-7-12-30(4)5)18(3)25(21)36-28(22)33/h8,10-11,14-16,31H,7,9,12-13H2,1-6H3,(H,29,32)
InChIKeyRRYXLBCONJQCLN-UHFFFAOYSA-N
MW494.59 g/mol
LogP4.91
Rot. Bonds10

About N-[7-[3-(dimethylamino)propoxy]-6-methoxy-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide

N-[7-[3-(dimethylamino)propoxy]-6-methoxy-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide (PubChem CID 53261053) has the molecular formula C28H34N2O6 and a molecular weight of 494.59 g/mol. Its IUPAC name is N-[7-[3-(dimethylamino)propoxy]-6-methoxy-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide.

Molecular Properties

Compound NameN-[7-[3-(dimethylamino)propoxy]-6-methoxy-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide
PubChem CID53261053
Molecular FormulaC28H34N2O6
Molecular Weight494.59 g/mol
Exact Mass494.24
IUPAC NameN-[7-[3-(dimethylamino)propoxy]-6-methoxy-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide
SMILESCOc1cc2cc(NC(=O)c3ccc(O)c(CC=C(C)C)c3)c(=O)oc2c(C)c1OCCCN(C)C
InChIInChI=1S/C28H34N2O6/c1-17(2)8-9-19-14-20(10-11-23(19)31)27(32)29-22-15-21-16-24(34-6)26(35-13-7-12-30(4)5)18(3)25(21)36-28(22)33/h8,10-11,14-16,31H,7,9,12-13H2,1-6H3,(H,29,32)
InChIKeyRRYXLBCONJQCLN-UHFFFAOYSA-N
XLogP4.91
TPSA101.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[7-[3-(dimethylamino)propoxy]-6-methoxy-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[7-[3-(dimethylamino)propoxy]-6-methoxy-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide?
The IUPAC name of N-[7-[3-(dimethylamino)propoxy]-6-methoxy-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide (CID 53261053) is N-[7-[3-(dimethylamino)propoxy]-6-methoxy-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide.
What is the SMILES notation for N-[7-[3-(dimethylamino)propoxy]-6-methoxy-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide?
The canonical SMILES for N-[7-[3-(dimethylamino)propoxy]-6-methoxy-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide is COc1cc2cc(NC(=O)c3ccc(O)c(CC=C(C)C)c3)c(=O)oc2c(C)c1OCCCN(C)C.
What is the InChIKey of N-[7-[3-(dimethylamino)propoxy]-6-methoxy-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide?
The InChIKey is RRYXLBCONJQCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O6/c1-17(2)8-9-19-14-20(10-11-23(19)31)27(32)29-22-15-21-16-24(34-6)26(35-13-7-12-30(4)5)18(3)25(21)36-28(22)33/h8,10-11,14-16,31H,7,9,12-13H2,1-6H3,(H,29,32).
What are the key properties of N-[7-[3-(dimethylamino)propoxy]-6-methoxy-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide?
N-[7-[3-(dimethylamino)propoxy]-6-methoxy-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide has a molecular weight of 494.59 g/mol, XLogP of 4.91, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[3-(dimethylamino)propoxy]-6-methoxy-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide is sourced from PubChem (CID 53261053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).