2-ethyl-4-[(E)-2-(6-methoxy-2H-chromen-3-yl)prop-1-enyl]benzamide

C22H23NO3 — CID 70374691

IUPAC2-ethyl-4-[(E)-2-(6-methoxy-2H-chromen-3-yl)prop-1-enyl]benzamide
SMILESCCc1cc(/C=C(\C)C2=Cc3cc(OC)ccc3OC2)ccc1C(N)=O
InChIInChI=1S/C22H23NO3/c1-4-16-10-15(5-7-20(16)22(23)24)9-14(2)18-11-17-12-19(25-3)6-8-21(17)26-13-18/h5-12H,4,13H2,1-3H3,(H2,23,24)/b14-9+
InChIKeyKOJWCCWAOAXJPA-NTEUORMPSA-N
MW349.43 g/mol
LogP4.24
Rot. Bonds5

About 2-ethyl-4-[(E)-2-(6-methoxy-2H-chromen-3-yl)prop-1-enyl]benzamide

2-ethyl-4-[(E)-2-(6-methoxy-2H-chromen-3-yl)prop-1-enyl]benzamide (PubChem CID 70374691) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-ethyl-4-[(E)-2-(6-methoxy-2H-chromen-3-yl)prop-1-enyl]benzamide.

Molecular Properties

Compound Name2-ethyl-4-[(E)-2-(6-methoxy-2H-chromen-3-yl)prop-1-enyl]benzamide
PubChem CID70374691
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name2-ethyl-4-[(E)-2-(6-methoxy-2H-chromen-3-yl)prop-1-enyl]benzamide
SMILESCCc1cc(/C=C(\C)C2=Cc3cc(OC)ccc3OC2)ccc1C(N)=O
InChIInChI=1S/C22H23NO3/c1-4-16-10-15(5-7-20(16)22(23)24)9-14(2)18-11-17-12-19(25-3)6-8-21(17)26-13-18/h5-12H,4,13H2,1-3H3,(H2,23,24)/b14-9+
InChIKeyKOJWCCWAOAXJPA-NTEUORMPSA-N
XLogP4.24
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-ethoxy-2H-chromen-3-yl)ethanone
CID 165453464
3-[1-(4-methoxyphenyl)prop-1-en-2-yl]-2H-chromene
CID 54042783
2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate
CID 1478823
N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
CID 46488602
1-(6-phenoxy-2H-chromen-3-yl)ethanone
CID 14971313
N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide
CID 119602105
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120654267
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120947707
N-(3-amino-4-methylpentyl)-6-methoxy-N-methyl-2H-chromene-3-carboxamide;hydrochloride
CID 119658659
N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
CID 46484911
N-(2,6-dimethylphenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 22578350
N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 1478817

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(E)-2-(6-methoxy-2H-chromen-3-yl)prop-1-enyl]benzamide?
The IUPAC name of 2-ethyl-4-[(E)-2-(6-methoxy-2H-chromen-3-yl)prop-1-enyl]benzamide (CID 70374691) is 2-ethyl-4-[(E)-2-(6-methoxy-2H-chromen-3-yl)prop-1-enyl]benzamide.
What is the SMILES notation for 2-ethyl-4-[(E)-2-(6-methoxy-2H-chromen-3-yl)prop-1-enyl]benzamide?
The canonical SMILES for 2-ethyl-4-[(E)-2-(6-methoxy-2H-chromen-3-yl)prop-1-enyl]benzamide is CCc1cc(/C=C(\C)C2=Cc3cc(OC)ccc3OC2)ccc1C(N)=O.
What is the InChIKey of 2-ethyl-4-[(E)-2-(6-methoxy-2H-chromen-3-yl)prop-1-enyl]benzamide?
The InChIKey is KOJWCCWAOAXJPA-NTEUORMPSA-N. The full InChI is InChI=1S/C22H23NO3/c1-4-16-10-15(5-7-20(16)22(23)24)9-14(2)18-11-17-12-19(25-3)6-8-21(17)26-13-18/h5-12H,4,13H2,1-3H3,(H2,23,24)/b14-9+.
What are the key properties of 2-ethyl-4-[(E)-2-(6-methoxy-2H-chromen-3-yl)prop-1-enyl]benzamide?
2-ethyl-4-[(E)-2-(6-methoxy-2H-chromen-3-yl)prop-1-enyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(E)-2-(6-methoxy-2H-chromen-3-yl)prop-1-enyl]benzamide is sourced from PubChem (CID 70374691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).