N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide

C20H19NO5 — CID 90598012

IUPACN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cc2ccccc2oc1=O)OC
InChIInChI=1S/C20H19NO5/c1-24-17-10-6-4-8-14(17)18(25-2)12-21-19(22)15-11-13-7-3-5-9-16(13)26-20(15)23/h3-11,18H,12H2,1-2H3,(H,21,22)
InChIKeyPYZDQXZMGJCROB-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.92
Rot. Bonds6

About N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide

N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 90598012) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
PubChem CID90598012
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC NameN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cc2ccccc2oc1=O)OC
InChIInChI=1S/C20H19NO5/c1-24-17-10-6-4-8-14(17)18(25-2)12-21-19(22)15-11-13-7-3-5-9-16(13)26-20(15)23/h3-11,18H,12H2,1-2H3,(H,21,22)
InChIKeyPYZDQXZMGJCROB-UHFFFAOYSA-N
XLogP2.92
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide
CID 90583931
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 90598011
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 41318549
5-bromo-2-chloro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide
CID 90598056
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2,4-dimethylbenzamide
CID 90597947
N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 90497338
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 90597977
[2-[2-[(2-oxochromene-3-carbonyl)amino]ethylcarbamoyl]phenyl] acetate
CID 6612133
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598704
N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 154578174

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide (CID 90598012) is N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide is COc1ccccc1C(CNC(=O)c1cc2ccccc2oc1=O)OC.
What is the InChIKey of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is PYZDQXZMGJCROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-24-17-10-6-4-8-14(17)18(25-2)12-21-19(22)15-11-13-7-3-5-9-16(13)26-20(15)23/h3-11,18H,12H2,1-2H3,(H,21,22).
What are the key properties of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide?
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 90598012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).