7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one

C20H21NO4 — CID 2690617

IUPAC7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one
SMILESCOc1cccc(CN(C)Cc2cc(=O)oc3cc(OC)ccc23)c1
InChIInChI=1S/C20H21NO4/c1-21(12-14-5-4-6-16(9-14)23-2)13-15-10-20(22)25-19-11-17(24-3)7-8-18(15)19/h4-11H,12-13H2,1-3H3
InChIKeyNZWUIHBXXNDMSU-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.44
Rot. Bonds6

About 7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one

7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one (PubChem CID 2690617) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one
PubChem CID2690617
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one
SMILESCOc1cccc(CN(C)Cc2cc(=O)oc3cc(OC)ccc23)c1
InChIInChI=1S/C20H21NO4/c1-21(12-14-5-4-6-16(9-14)23-2)13-15-10-20(22)25-19-11-17(24-3)7-8-18(15)19/h4-11H,12-13H2,1-3H3
InChIKeyNZWUIHBXXNDMSU-UHFFFAOYSA-N
XLogP3.44
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-4-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]chromen-2-one
CID 9054180
7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one
CID 11151459
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 2656756
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 27197380
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
7-methoxy-4-[[1-(2-methoxyphenyl)ethyl-methylamino]methyl]chromen-2-one
CID 55628357
N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9252835
(7-methoxy-2-oxochromen-4-yl)methyl-methylazanium
CID 8931836
4-[(3-chlorophenoxy)methyl]-7-methoxychromen-2-one
CID 7818890
N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9303635
N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9053292

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one?
The IUPAC name of 7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one (CID 2690617) is 7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one.
What is the SMILES notation for 7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one?
The canonical SMILES for 7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one is COc1cccc(CN(C)Cc2cc(=O)oc3cc(OC)ccc23)c1.
What is the InChIKey of 7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one?
The InChIKey is NZWUIHBXXNDMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-21(12-14-5-4-6-16(9-14)23-2)13-15-10-20(22)25-19-11-17(24-3)7-8-18(15)19/h4-11H,12-13H2,1-3H3.
What are the key properties of 7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one?
7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one has a molecular weight of 339.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one is sourced from PubChem (CID 2690617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).