N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide

C20H19NO5 — CID 90598011

IUPACN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cc(=O)c2ccccc2o1)OC
InChIInChI=1S/C20H19NO5/c1-24-16-9-5-4-8-14(16)19(25-2)12-21-20(23)18-11-15(22)13-7-3-6-10-17(13)26-18/h3-11,19H,12H2,1-2H3,(H,21,23)
InChIKeyLVBIIMGSMPEULW-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.92
Rot. Bonds6

About N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide

N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide (PubChem CID 90598011) 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]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
PubChem CID90598011
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC NameN-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cc(=O)c2ccccc2o1)OC
InChIInChI=1S/C20H19NO5/c1-24-16-9-5-4-8-14(16)19(25-2)12-21-20(23)18-11-15(22)13-7-3-6-10-17(13)26-18/h3-11,19H,12H2,1-2H3,(H,21,23)
InChIKeyLVBIIMGSMPEULW-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

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Related Compounds

N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-oxochromene-2-carboxamide
CID 9112454
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-oxochromene-2-carboxamide
CID 9112450
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 90598012
7-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 71810493
N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 11638378
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
ethyl N-[4-methyl-1-[(4-oxochromene-2-carbonyl)amino]pentan-2-yl]carbamate
CID 55654736
N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
CID 107300405
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-propan-2-ylurea
CID 90598262

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide (CID 90598011) is N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide is COc1ccccc1C(CNC(=O)c1cc(=O)c2ccccc2o1)OC.
What is the InChIKey of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide?
The InChIKey is LVBIIMGSMPEULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-24-16-9-5-4-8-14(16)19(25-2)12-21-20(23)18-11-15(22)13-7-3-6-10-17(13)26-18/h3-11,19H,12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide?
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-4-oxochromene-2-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]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 90598011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).