ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate

C18H15NO4 — CID 154341354

IUPACethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate
SMILESCCOC(=O)Nc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C18H15NO4/c1-2-22-18(21)19-13-8-9-14-15(12-6-4-3-5-7-12)11-17(20)23-16(14)10-13/h3-11H,2H2,1H3,(H,19,21)
InChIKeyXTUQHGKTULIMCR-UHFFFAOYSA-N
MW309.32 g/mol
LogP4.03
Rot. Bonds3

About ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate

ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate (PubChem CID 154341354) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate
PubChem CID154341354
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Nameethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate
SMILESCCOC(=O)Nc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C18H15NO4/c1-2-22-18(21)19-13-8-9-14-15(12-6-4-3-5-7-12)11-17(20)23-16(14)10-13/h3-11H,2H2,1H3,(H,19,21)
InChIKeyXTUQHGKTULIMCR-UHFFFAOYSA-N
XLogP4.03
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
CID 7996380
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-phenylsulfanylacetate
CID 40619628
ethyl (2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-2-phenylacetate
CID 2277249
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl furan-2-carboxylate
CID 7891680
7-ethoxy-4-phenylchromen-2-one
CID 678937
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(2-methoxyphenyl)acetate
CID 46795057
butyl N-(4-methyl-2-oxochromen-7-yl)carbamate
CID 3690863
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2423246
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 4-ethylbenzoate
CID 7775602
ethyl N-[(1S)-3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxo-1-phenylpropyl]carbamate
CID 124548823
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(phenoxymethyl)furan-2-carboxylate
CID 42450559
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-ethylsulfinylbenzoate
CID 55374719

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate?
The IUPAC name of ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate (CID 154341354) is ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate.
What is the SMILES notation for ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate?
The canonical SMILES for ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate is CCOC(=O)Nc1ccc2c(-c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate?
The InChIKey is XTUQHGKTULIMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-2-22-18(21)19-13-8-9-14-15(12-6-4-3-5-7-12)11-17(20)23-16(14)10-13/h3-11H,2H2,1H3,(H,19,21).
What are the key properties of ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate?
ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate has a molecular weight of 309.32 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate is sourced from PubChem (CID 154341354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).