2-[(2-oxochromene-3-carbonyl)amino]ethyl acetate

C14H13NO5 — CID 2056403

IUPAC2-[(2-oxochromene-3-carbonyl)amino]ethyl acetate
SMILESCC(=O)OCCNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H13NO5/c1-9(16)19-7-6-15-13(17)11-8-10-4-2-3-5-12(10)20-14(11)18/h2-5,8H,6-7H2,1H3,(H,15,17)
InChIKeyUMIDGISCWOTJED-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.09
Rot. Bonds4

About 2-[(2-oxochromene-3-carbonyl)amino]ethyl acetate

2-[(2-oxochromene-3-carbonyl)amino]ethyl acetate (PubChem CID 2056403) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[(2-oxochromene-3-carbonyl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[(2-oxochromene-3-carbonyl)amino]ethyl acetate
PubChem CID2056403
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name2-[(2-oxochromene-3-carbonyl)amino]ethyl acetate
SMILESCC(=O)OCCNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H13NO5/c1-9(16)19-7-6-15-13(17)11-8-10-4-2-3-5-12(10)20-14(11)18/h2-5,8H,6-7H2,1H3,(H,15,17)
InChIKeyUMIDGISCWOTJED-UHFFFAOYSA-N
XLogP1.09
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide
CID 120587
2-oxo-N-(2-phenylethyl)-2H-chromene-3-carboxamide
CID 728535
2-oxo-N-(1-phenylethyl)-2H-chromene-3-carboxamide
CID 2788317
3-(4-Morpholinylcarbonyl)-2H-1-benzopyran-2-one
CID 28914
N-cyclohexyl-2-oxo-2H-chromene-3-carboxamide
CID 724217
2H-1-Benzopyran-3-carboxamide, N,N'-1,4-butanediylbis[2-oxo-
CID 3559465
8-methoxy-2-oxo-N-(2-phenylethyl)-2H-chromene-3-carboxamide
CID 712647
N,N'-Ethylenebis(3-coumarincarboxamide)
CID 599283
Coumarin, 3-(piperidinocarbonyl)-
CID 28913
Coumarin, 3-(1-pyrrolidinylcarbonyl)-
CID 28912
2-Oxo-2H-1-benzopyran-3-carboxamide
CID 120586
N-isobutyl-2-oxo-2H-chromene-3-carboxamide
CID 823440

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxochromene-3-carbonyl)amino]ethyl acetate?
The IUPAC name of 2-[(2-oxochromene-3-carbonyl)amino]ethyl acetate (CID 2056403) is 2-[(2-oxochromene-3-carbonyl)amino]ethyl acetate.
What is the SMILES notation for 2-[(2-oxochromene-3-carbonyl)amino]ethyl acetate?
The canonical SMILES for 2-[(2-oxochromene-3-carbonyl)amino]ethyl acetate is CC(=O)OCCNC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-[(2-oxochromene-3-carbonyl)amino]ethyl acetate?
The InChIKey is UMIDGISCWOTJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-9(16)19-7-6-15-13(17)11-8-10-4-2-3-5-12(10)20-14(11)18/h2-5,8H,6-7H2,1H3,(H,15,17).
What are the key properties of 2-[(2-oxochromene-3-carbonyl)amino]ethyl acetate?
2-[(2-oxochromene-3-carbonyl)amino]ethyl acetate has a molecular weight of 275.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxochromene-3-carbonyl)amino]ethyl acetate is sourced from PubChem (CID 2056403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).