4-[2-(2H-chromen-3-yl)prop-2-enyl]-N-ethylbenzamide

C21H21NO2 — CID 22155544

IUPAC4-[2-(2H-chromen-3-yl)prop-2-enyl]-N-ethylbenzamide
SMILESC=C(Cc1ccc(C(=O)NCC)cc1)C1=Cc2ccccc2OC1
InChIInChI=1S/C21H21NO2/c1-3-22-21(23)17-10-8-16(9-11-17)12-15(2)19-13-18-6-4-5-7-20(18)24-14-19/h4-11,13H,2-3,12,14H2,1H3,(H,22,23)
InChIKeyDWABUFBUICKBLE-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.01
Rot. Bonds5

About 4-[2-(2H-chromen-3-yl)prop-2-enyl]-N-ethylbenzamide

4-[2-(2H-chromen-3-yl)prop-2-enyl]-N-ethylbenzamide (PubChem CID 22155544) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-[2-(2H-chromen-3-yl)prop-2-enyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[2-(2H-chromen-3-yl)prop-2-enyl]-N-ethylbenzamide
PubChem CID22155544
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name4-[2-(2H-chromen-3-yl)prop-2-enyl]-N-ethylbenzamide
SMILESC=C(Cc1ccc(C(=O)NCC)cc1)C1=Cc2ccccc2OC1
InChIInChI=1S/C21H21NO2/c1-3-22-21(23)17-10-8-16(9-11-17)12-15(2)19-13-18-6-4-5-7-20(18)24-14-19/h4-11,13H,2-3,12,14H2,1H3,(H,22,23)
InChIKeyDWABUFBUICKBLE-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2H-chromene-3-carboxamide
CID 13029267
N-(2H-chromen-3-ylmethyl)benzamide
CID 154710312
4-benzyl-N-ethylbenzamide
CID 134120069
(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid
CID 124689247
N-(4-hydroxy-2,2-dimethylpentyl)-2H-chromene-3-carboxamide
CID 111520105
N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742887
3-(2H-chromene-3-carbonylamino)butanoic acid
CID 119220849
N-(3-hydroxy-2,2,4-trimethylpentyl)-2H-chromene-3-carboxamide
CID 109381132
[2-oxo-2-(pentan-3-ylamino)ethyl] 2H-chromene-3-carboxylate
CID 8742976
N-(2-ethoxyphenyl)-2H-chromene-3-carboxamide
CID 7464979
N-ethylbenzamide
CID 160772566

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2H-chromen-3-yl)prop-2-enyl]-N-ethylbenzamide?
The IUPAC name of 4-[2-(2H-chromen-3-yl)prop-2-enyl]-N-ethylbenzamide (CID 22155544) is 4-[2-(2H-chromen-3-yl)prop-2-enyl]-N-ethylbenzamide.
What is the SMILES notation for 4-[2-(2H-chromen-3-yl)prop-2-enyl]-N-ethylbenzamide?
The canonical SMILES for 4-[2-(2H-chromen-3-yl)prop-2-enyl]-N-ethylbenzamide is C=C(Cc1ccc(C(=O)NCC)cc1)C1=Cc2ccccc2OC1.
What is the InChIKey of 4-[2-(2H-chromen-3-yl)prop-2-enyl]-N-ethylbenzamide?
The InChIKey is DWABUFBUICKBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-3-22-21(23)17-10-8-16(9-11-17)12-15(2)19-13-18-6-4-5-7-20(18)24-14-19/h4-11,13H,2-3,12,14H2,1H3,(H,22,23).
What are the key properties of 4-[2-(2H-chromen-3-yl)prop-2-enyl]-N-ethylbenzamide?
4-[2-(2H-chromen-3-yl)prop-2-enyl]-N-ethylbenzamide has a molecular weight of 319.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2H-chromen-3-yl)prop-2-enyl]-N-ethylbenzamide is sourced from PubChem (CID 22155544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).