N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide

C21H22N2O4 — CID 34778072

IUPACN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C21H22N2O4/c1-3-23(13-20(24)22-17-8-6-9-18(12-17)26-2)21(25)16-11-15-7-4-5-10-19(15)27-14-16/h4-12H,3,13-14H2,1-2H3,(H,22,24)
InChIKeyCKFGVAILMJUTBO-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.96
Rot. Bonds6

About N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide (PubChem CID 34778072) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide
PubChem CID34778072
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C21H22N2O4/c1-3-23(13-20(24)22-17-8-6-9-18(12-17)26-2)21(25)16-11-15-7-4-5-10-19(15)27-14-16/h4-12H,3,13-14H2,1-2H3,(H,22,24)
InChIKeyCKFGVAILMJUTBO-UHFFFAOYSA-N
XLogP2.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 7958626
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide
CID 40609025
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201
N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide
CID 9456326
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 26353614
N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55383995
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55344386
1-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119729055
(E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide
CID 7465050
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide
CID 30839706

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide (CID 34778072) is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide?
The InChIKey is CKFGVAILMJUTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-23(13-20(24)22-17-8-6-9-18(12-17)26-2)21(25)16-11-15-7-4-5-10-19(15)27-14-16/h4-12H,3,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide?
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 34778072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).