N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide

C20H21NO5 — CID 46484911

IUPACN-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
SMILESCCOc1ccc2c(c1)C=C(C(=O)Nc1ccc(OC)c(OC)c1)CO2
InChIInChI=1S/C20H21NO5/c1-4-25-16-6-8-17-13(10-16)9-14(12-26-17)20(22)21-15-5-7-18(23-2)19(11-15)24-3/h5-11H,4,12H2,1-3H3,(H,21,22)
InChIKeyPGZSRMVJNXXWBZ-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.52
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide

N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide (PubChem CID 46484911) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
PubChem CID46484911
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC NameN-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
SMILESCCOc1ccc2c(c1)C=C(C(=O)Nc1ccc(OC)c(OC)c1)CO2
InChIInChI=1S/C20H21NO5/c1-4-25-16-6-8-17-13(10-16)9-14(12-26-17)20(22)21-15-5-7-18(23-2)19(11-15)24-3/h5-11H,4,12H2,1-3H3,(H,21,22)
InChIKeyPGZSRMVJNXXWBZ-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-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
CID 46488602
1-(6-ethoxy-2H-chromen-3-yl)ethanone
CID 165453464
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide
CID 139932885
N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 1478813
N-(2,6-dimethylphenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 22578350
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(3,4-dimethoxyphenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109164154
N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide
CID 17418033
6-fluoro-N-(4-fluorophenyl)-2H-chromene-3-carboxamide
CID 146123471
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295
N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969501

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide (CID 46484911) is N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide is CCOc1ccc2c(c1)C=C(C(=O)Nc1ccc(OC)c(OC)c1)CO2.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide?
The InChIKey is PGZSRMVJNXXWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-4-25-16-6-8-17-13(10-16)9-14(12-26-17)20(22)21-15-5-7-18(23-2)19(11-15)24-3/h5-11H,4,12H2,1-3H3,(H,21,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide?
N-(3,4-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-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 46484911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).