[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate

C19H17NO4 — CID 24981343

IUPAC[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESO=C(COC(=O)C1=Cc2ccccc2OC1)NCc1ccccc1
InChIInChI=1S/C19H17NO4/c21-18(20-11-14-6-2-1-3-7-14)13-24-19(22)16-10-15-8-4-5-9-17(15)23-12-16/h1-10H,11-13H2,(H,20,21)
InChIKeyJOJKEQHAWYCTMD-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.32
Rot. Bonds5

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

[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate (PubChem CID 24981343) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
PubChem CID24981343
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
SMILESO=C(COC(=O)C1=Cc2ccccc2OC1)NCc1ccccc1
InChIInChI=1S/C19H17NO4/c21-18(20-11-14-6-2-1-3-7-14)13-24-19(22)16-10-15-8-4-5-9-17(15)23-12-16/h1-10H,11-13H2,(H,20,21)
InChIKeyJOJKEQHAWYCTMD-UHFFFAOYSA-N
XLogP2.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2H-chromene-3-carboxylate
CID 8821553
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741829
[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742887
[2-(methylcarbamoylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8743856
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8821560
[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741779
[2-(3,5-dichloroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741886
[2-(2-fluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742118
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8821543
[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 18169764
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8747153
[2-(3,4-difluoroanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741788

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate (CID 24981343) is [2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate is O=C(COC(=O)C1=Cc2ccccc2OC1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate?
The InChIKey is JOJKEQHAWYCTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-18(20-11-14-6-2-1-3-7-14)13-24-19(22)16-10-15-8-4-5-9-17(15)23-12-16/h1-10H,11-13H2,(H,20,21).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate?
[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 24981343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).