N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide

C20H21NO5 — CID 46488602

IUPACN-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
SMILESCCOc1ccc2c(c1)C=C(C(=O)Nc1cc(OC)cc(OC)c1)CO2
InChIInChI=1S/C20H21NO5/c1-4-25-16-5-6-19-13(8-16)7-14(12-26-19)20(22)21-15-9-17(23-2)11-18(10-15)24-3/h5-11H,4,12H2,1-3H3,(H,21,22)
InChIKeyJVKUZZFMFDQTIB-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.52
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide

N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide (PubChem CID 46488602) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
PubChem CID46488602
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC NameN-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
SMILESCCOc1ccc2c(c1)C=C(C(=O)Nc1cc(OC)cc(OC)c1)CO2
InChIInChI=1S/C20H21NO5/c1-4-25-16-5-6-19-13(8-16)7-14(12-26-19)20(22)21-15-9-17(23-2)11-18(10-15)24-3/h5-11H,4,12H2,1-3H3,(H,21,22)
InChIKeyJVKUZZFMFDQTIB-UHFFFAOYSA-N
XLogP3.52
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
CID 46484911
1-(6-ethoxy-2H-chromen-3-yl)ethanone
CID 165453464
N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 1478813
N-(2,6-dimethylphenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 22578350
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120654267
N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide
CID 86878702
6-fluoro-N-(4-fluorophenyl)-2H-chromene-3-carboxamide
CID 146123471
N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 1478817
N-(2-ethoxyphenyl)-2H-chromene-3-carboxamide
CID 7464979
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120947707
N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 22578403
N-[4-(cyclohexylmethyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide
CID 91451229

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide (CID 46488602) is N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide is CCOc1ccc2c(c1)C=C(C(=O)Nc1cc(OC)cc(OC)c1)CO2.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide?
The InChIKey is JVKUZZFMFDQTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-4-25-16-5-6-19-13(8-16)7-14(12-26-19)20(22)21-15-9-17(23-2)11-18(10-15)24-3/h5-11H,4,12H2,1-3H3,(H,21,22).
What are the key properties of N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide?
N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 46488602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).