ethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate

C14H15NO4 — CID 14690244

IUPACethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate
SMILESCCOC(=O)Nc1ccc2c(C)cc(=O)oc2c1C
InChIInChI=1S/C14H15NO4/c1-4-18-14(17)15-11-6-5-10-8(2)7-12(16)19-13(10)9(11)3/h5-7H,4H2,1-3H3,(H,15,17)
InChIKeyJMNRRTRDPIWYHA-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.98
Rot. Bonds2

About ethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate

ethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate (PubChem CID 14690244) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate
PubChem CID14690244
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate
SMILESCCOC(=O)Nc1ccc2c(C)cc(=O)oc2c1C
InChIInChI=1S/C14H15NO4/c1-4-18-14(17)15-11-6-5-10-8(2)7-12(16)19-13(10)9(11)3/h5-7H,4H2,1-3H3,(H,15,17)
InChIKeyJMNRRTRDPIWYHA-UHFFFAOYSA-N
XLogP2.98
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.98
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-[4-methyl-2-oxo-8-(2-oxoethyl)chromen-7-yl]carbamate
CID 59776448
ethyl N-(4,6-dimethyl-8-nitro-2-oxochromen-7-yl)carbamate
CID 14690250
2-[[2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 8563847
4-(ethoxycarbonylamino)-6-methylbenzene-1,3-dicarboxylic acid
CID 174441448
butyl N-(4-methyl-2-oxochromen-7-yl)carbamate
CID 3690863
ethyl (2S)-2-(8-iodo-4-methyl-2-oxochromen-7-yl)oxybutanoate
CID 1369278
ethyl 2-(8-iodo-4-methyl-2-oxochromen-7-yl)oxybutanoate
CID 2885137
2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide
CID 91296883
ethyl N-(2-formyl-4-methylphenyl)carbamate
CID 135178172
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2R)-octan-2-yl]acetamide
CID 8564343
(4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate
CID 56839646
4,8-dimethyl-7-(3-oxobutan-2-yloxy)chromen-2-one
CID 4914824

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate?
The IUPAC name of ethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate (CID 14690244) is ethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate.
What is the SMILES notation for ethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate?
The canonical SMILES for ethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate is CCOC(=O)Nc1ccc2c(C)cc(=O)oc2c1C.
What is the InChIKey of ethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate?
The InChIKey is JMNRRTRDPIWYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-4-18-14(17)15-11-6-5-10-8(2)7-12(16)19-13(10)9(11)3/h5-7H,4H2,1-3H3,(H,15,17).
What are the key properties of ethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate?
ethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate has a molecular weight of 261.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4,8-dimethyl-2-oxochromen-7-yl)carbamate is sourced from PubChem (CID 14690244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).