[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate

C19H17NO4 — CID 8741779

IUPAC[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C19H17NO4/c1-13-6-8-16(9-7-13)20-18(21)12-24-19(22)15-10-14-4-2-3-5-17(14)23-11-15/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyLSSQOQUCENITBG-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.95
Rot. Bonds4

About [2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate

[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate (PubChem CID 8741779) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
PubChem CID8741779
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C19H17NO4/c1-13-6-8-16(9-7-13)20-18(21)12-24-19(22)15-10-14-4-2-3-5-17(14)23-11-15/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyLSSQOQUCENITBG-UHFFFAOYSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741795
[2-(3,5-dichloroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741886
[2-(3,4-difluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741788
[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742887
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 18158022
[2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742118
[2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8743856
[2-oxo-2-(pentan-3-ylamino)ethyl] 2H-chromene-3-carboxylate
CID 8742976
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8744397
[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 24981343
[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8747358
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 35386075

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate (CID 8741779) is [2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate is Cc1ccc(NC(=O)COC(=O)C2=Cc3ccccc3OC2)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate?
The InChIKey is LSSQOQUCENITBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-13-6-8-16(9-7-13)20-18(21)12-24-19(22)15-10-14-4-2-3-5-17(14)23-11-15/h2-10H,11-12H2,1H3,(H,20,21).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate?
[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 8741779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).