ethyl 2-amino-4-[2-(diethylamino)-2-oxoethyl]-6-phenyl-4H-chromene-3-carboxylate

C24H28N2O4 — CID 25069370

IUPACethyl 2-amino-4-[2-(diethylamino)-2-oxoethyl]-6-phenyl-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2C1CC(=O)N(CC)CC
InChIInChI=1S/C24H28N2O4/c1-4-26(5-2)21(27)15-19-18-14-17(16-10-8-7-9-11-16)12-13-20(18)30-23(25)22(19)24(28)29-6-3/h7-14,19H,4-6,15,25H2,1-3H3
InChIKeyBIPGCFJINKTMQY-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.82
Rot. Bonds7

About ethyl 2-amino-4-[2-(diethylamino)-2-oxoethyl]-6-phenyl-4H-chromene-3-carboxylate

ethyl 2-amino-4-[2-(diethylamino)-2-oxoethyl]-6-phenyl-4H-chromene-3-carboxylate (PubChem CID 25069370) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is ethyl 2-amino-4-[2-(diethylamino)-2-oxoethyl]-6-phenyl-4H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-[2-(diethylamino)-2-oxoethyl]-6-phenyl-4H-chromene-3-carboxylate
PubChem CID25069370
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Nameethyl 2-amino-4-[2-(diethylamino)-2-oxoethyl]-6-phenyl-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2C1CC(=O)N(CC)CC
InChIInChI=1S/C24H28N2O4/c1-4-26(5-2)21(27)15-19-18-14-17(16-10-8-7-9-11-16)12-13-20(18)30-23(25)22(19)24(28)29-6-3/h7-14,19H,4-6,15,25H2,1-3H3
InChIKeyBIPGCFJINKTMQY-UHFFFAOYSA-N
XLogP3.82
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 4638847
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CID 2997006
methyl 2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-6-((tetrahydrofuran-2-yl)methyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 666516
Butan-2-yl 4-(2-methoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 3236410
2-Methylpropyl 4-(2-methoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 3236446
5,7-Dimethoxy-8-[1-(4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]chromen-2-one
CID 16746284
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CID 24868003
Ethyl 4-(2-methoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 2863896
Benzyl 2-methyl-6-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 2891824
5-amino-3-dodecyl-1H-chromeno[3,4-c]pyridine-2,4(3H,10bH)-dione
CID 71299377
4-Methylbenzyl 4-(2-ethoxyphenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
CID 15989857
ethyl 2-amino-4-(1-cyano-2-ethoxy-2-oxoethyl)-6-phenyl-4H-chromene-3-carboxylate
CID 16098791

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[2-(diethylamino)-2-oxoethyl]-6-phenyl-4H-chromene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-[2-(diethylamino)-2-oxoethyl]-6-phenyl-4H-chromene-3-carboxylate (CID 25069370) is ethyl 2-amino-4-[2-(diethylamino)-2-oxoethyl]-6-phenyl-4H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-[2-(diethylamino)-2-oxoethyl]-6-phenyl-4H-chromene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-[2-(diethylamino)-2-oxoethyl]-6-phenyl-4H-chromene-3-carboxylate is CCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2C1CC(=O)N(CC)CC.
What is the InChIKey of ethyl 2-amino-4-[2-(diethylamino)-2-oxoethyl]-6-phenyl-4H-chromene-3-carboxylate?
The InChIKey is BIPGCFJINKTMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-4-26(5-2)21(27)15-19-18-14-17(16-10-8-7-9-11-16)12-13-20(18)30-23(25)22(19)24(28)29-6-3/h7-14,19H,4-6,15,25H2,1-3H3.
What are the key properties of ethyl 2-amino-4-[2-(diethylamino)-2-oxoethyl]-6-phenyl-4H-chromene-3-carboxylate?
ethyl 2-amino-4-[2-(diethylamino)-2-oxoethyl]-6-phenyl-4H-chromene-3-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[2-(diethylamino)-2-oxoethyl]-6-phenyl-4H-chromene-3-carboxylate is sourced from PubChem (CID 25069370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).