methyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate

C20H19NO4 — CID 123908222

IUPACmethyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate
SMILESC=Cc1ccccc1C(=O)NC1CCOc2ccc(C(=O)OC)cc21
InChIInChI=1S/C20H19NO4/c1-3-13-6-4-5-7-15(13)19(22)21-17-10-11-25-18-9-8-14(12-16(17)18)20(23)24-2/h3-9,12,17H,1,10-11H2,2H3,(H,21,22)
InChIKeyZKKHHZQLLYBBDA-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.37
Rot. Bonds4

About methyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate

methyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate (PubChem CID 123908222) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate
PubChem CID123908222
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Namemethyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate
SMILESC=Cc1ccccc1C(=O)NC1CCOc2ccc(C(=O)OC)cc21
InChIInChI=1S/C20H19NO4/c1-3-13-6-4-5-7-15(13)19(22)21-17-10-11-25-18-9-8-14(12-16(17)18)20(23)24-2/h3-9,12,17H,1,10-11H2,2H3,(H,21,22)
InChIKeyZKKHHZQLLYBBDA-UHFFFAOYSA-N
XLogP3.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzoyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108757445
methyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylcarbamothioylamino]-3,4-dihydro-2H-chromene-6-carboxylate
CID 168919146
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 82174716
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
methyl 3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 67546137
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
N-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide
CID 167921571
3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
CID 8819799
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
2-methyl-N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-3-nitrobenzamide
CID 108734181
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate?
The IUPAC name of methyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate (CID 123908222) is methyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate.
What is the SMILES notation for methyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate?
The canonical SMILES for methyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate is C=Cc1ccccc1C(=O)NC1CCOc2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate?
The InChIKey is ZKKHHZQLLYBBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-13-6-4-5-7-15(13)19(22)21-17-10-11-25-18-9-8-14(12-16(17)18)20(23)24-2/h3-9,12,17H,1,10-11H2,2H3,(H,21,22).
What are the key properties of methyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate?
methyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate is sourced from PubChem (CID 123908222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).