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

C20H17NO6 — CID 7996380

IUPACethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
SMILESCCOC(=O)NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C20H17NO6/c1-2-25-20(24)21-18(22)12-26-14-8-9-15-16(13-6-4-3-5-7-13)11-19(23)27-17(15)10-14/h3-11H,2,12H2,1H3,(H,21,22,24)
InChIKeyAHJJBBHNVKSBTB-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.11
Rot. Bonds5

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

ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate (PubChem CID 7996380) has the molecular formula C20H17NO6 and a molecular weight of 367.36 g/mol. Its IUPAC name is ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
PubChem CID7996380
Molecular FormulaC20H17NO6
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Nameethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
SMILESCCOC(=O)NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C20H17NO6/c1-2-25-20(24)21-18(22)12-26-14-8-9-15-16(13-6-4-3-5-7-13)11-19(23)27-17(15)10-14/h3-11H,2,12H2,1H3,(H,21,22,24)
InChIKeyAHJJBBHNVKSBTB-UHFFFAOYSA-N
XLogP3.11
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 8636135
(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5428805
N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide
CID 8806134
7-ethoxy-4-phenylchromen-2-one
CID 678937
ethyl N-(2-oxo-4-phenylchromen-7-yl)carbamate
CID 154341354
N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 155543658
7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
CID 701624
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide
CID 7996357
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7996359
(2S)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]-3-phenylpropanoic acid
CID 1194304
tert-butyl 2-(2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 988853
N-(2-methyl-6-propan-2-ylphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 2185509

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate?
The IUPAC name of ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate (CID 7996380) is ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate?
The canonical SMILES for ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate is CCOC(=O)NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate?
The InChIKey is AHJJBBHNVKSBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6/c1-2-25-20(24)21-18(22)12-26-14-8-9-15-16(13-6-4-3-5-7-13)11-19(23)27-17(15)10-14/h3-11H,2,12H2,1H3,(H,21,22,24).
What are the key properties of ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate?
ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate has a molecular weight of 367.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate is sourced from PubChem (CID 7996380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).