ethyl 2-amino-4-(diethylcarbamoyl)-6-phenyl-4H-chromene-3-carboxylate

C23H26N2O4 — CID 56658386

IUPACethyl 2-amino-4-(diethylcarbamoyl)-6-phenyl-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2C1C(=O)N(CC)CC
InChIInChI=1S/C23H26N2O4/c1-4-25(5-2)22(26)19-17-14-16(15-10-8-7-9-11-15)12-13-18(17)29-21(24)20(19)23(27)28-6-3/h7-14,19H,4-6,24H2,1-3H3
InChIKeyYYMLSQOAPPIEOE-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.43
Rot. Bonds6

About ethyl 2-amino-4-(diethylcarbamoyl)-6-phenyl-4H-chromene-3-carboxylate

ethyl 2-amino-4-(diethylcarbamoyl)-6-phenyl-4H-chromene-3-carboxylate (PubChem CID 56658386) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is ethyl 2-amino-4-(diethylcarbamoyl)-6-phenyl-4H-chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(diethylcarbamoyl)-6-phenyl-4H-chromene-3-carboxylate
PubChem CID56658386
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Nameethyl 2-amino-4-(diethylcarbamoyl)-6-phenyl-4H-chromene-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2C1C(=O)N(CC)CC
InChIInChI=1S/C23H26N2O4/c1-4-25(5-2)22(26)19-17-14-16(15-10-8-7-9-11-15)12-13-18(17)29-21(24)20(19)23(27)28-6-3/h7-14,19H,4-6,24H2,1-3H3
InChIKeyYYMLSQOAPPIEOE-UHFFFAOYSA-N
XLogP3.43
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(diethylcarbamoyl)-6-phenyl-4H-chromene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(diethylcarbamoyl)-6-phenyl-4H-chromene-3-carboxylate (CID 56658386) is ethyl 2-amino-4-(diethylcarbamoyl)-6-phenyl-4H-chromene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(diethylcarbamoyl)-6-phenyl-4H-chromene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(diethylcarbamoyl)-6-phenyl-4H-chromene-3-carboxylate is CCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2C1C(=O)N(CC)CC.
What is the InChIKey of ethyl 2-amino-4-(diethylcarbamoyl)-6-phenyl-4H-chromene-3-carboxylate?
The InChIKey is YYMLSQOAPPIEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-4-25(5-2)22(26)19-17-14-16(15-10-8-7-9-11-15)12-13-18(17)29-21(24)20(19)23(27)28-6-3/h7-14,19H,4-6,24H2,1-3H3.
What are the key properties of ethyl 2-amino-4-(diethylcarbamoyl)-6-phenyl-4H-chromene-3-carboxylate?
ethyl 2-amino-4-(diethylcarbamoyl)-6-phenyl-4H-chromene-3-carboxylate has a molecular weight of 394.47 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(diethylcarbamoyl)-6-phenyl-4H-chromene-3-carboxylate is sourced from PubChem (CID 56658386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).