(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate

C23H23NO6 — CID 7807783

IUPAC(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1cc(=O)oc2cc(C)c(C)cc12
InChIInChI=1S/C23H23NO6/c1-4-28-19-8-6-5-7-17(19)23(27)24-12-22(26)29-13-16-11-21(25)30-20-10-15(3)14(2)9-18(16)20/h5-11H,4,12-13H2,1-3H3,(H,24,27)
InChIKeyKBNUQMZOCQTRND-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.28
Rot. Bonds7

About (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate

(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 7807783) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID7807783
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Name(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCc1cc(=O)oc2cc(C)c(C)cc12
InChIInChI=1S/C23H23NO6/c1-4-28-19-8-6-5-7-17(19)23(27)24-12-22(26)29-13-16-11-21(25)30-20-10-15(3)14(2)9-18(16)20/h5-11H,4,12-13H2,1-3H3,(H,24,27)
InChIKeyKBNUQMZOCQTRND-UHFFFAOYSA-N
XLogP3.28
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.28
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

(2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807817
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate
CID 46641278
(2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7951719
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-chlorobenzoate
CID 7477032
(6,7-dimethyl-2-oxochromen-4-yl)methyl 3-ethoxy-4-methoxybenzoate
CID 7558646
[2-(trifluoromethyl)phenyl]methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807869
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate
CID 7844520
(6,7-dimethyl-2-oxochromen-4-yl)methyl 3,3-diphenylpropanoate
CID 7795348
(7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
CID 7524489
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788122
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-phenylbenzoate
CID 7229157

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate (CID 7807783) is (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCc1cc(=O)oc2cc(C)c(C)cc12.
What is the InChIKey of (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is KBNUQMZOCQTRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6/c1-4-28-19-8-6-5-7-17(19)23(27)24-12-22(26)29-13-16-11-21(25)30-20-10-15(3)14(2)9-18(16)20/h5-11H,4,12-13H2,1-3H3,(H,24,27).
What are the key properties of (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate?
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 409.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7807783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).