2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide

C20H25NO6 — CID 171916127

IUPAC2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
SMILESCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H]3COCC[C@H]3OC)c12
InChIInChI=1S/C20H25NO6/c1-4-13-9-19(23)27-17-8-12(2)7-16(20(13)17)26-11-18(22)21-14-10-25-6-5-15(14)24-3/h7-9,14-15H,4-6,10-11H2,1-3H3,(H,21,22)/t14-,15-/m1/s1
InChIKeyNLESLMZPBZIOKA-HUUCEWRRSA-N
MW375.42 g/mol
LogP1.96
Rot. Bonds6

About 2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide

2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide (PubChem CID 171916127) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
PubChem CID171916127
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Name2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
SMILESCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H]3COCC[C@H]3OC)c12
InChIInChI=1S/C20H25NO6/c1-4-13-9-19(23)27-17-8-12(2)7-16(20(13)17)26-11-18(22)21-14-10-25-6-5-15(14)24-3/h7-9,14-15H,4-6,10-11H2,1-3H3,(H,21,22)/t14-,15-/m1/s1
InChIKeyNLESLMZPBZIOKA-HUUCEWRRSA-N
XLogP1.96
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 51.96
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-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]acetamide
CID 171914586
4-ethyl-5-[2-(3-hydroxyazetidin-1-yl)-2-oxoethoxy]-7-methylchromen-2-one
CID 171915504
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide
CID 99796950
N-(oxan-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide
CID 171912972
2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 4562834
4-ethyl-7-methyl-5-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethoxy]chromen-2-one
CID 171912684
4-ethyl-5-[2-[2-(2-methoxyethyl)piperidin-1-yl]-2-oxoethoxy]-7-methylchromen-2-one
CID 171388251
2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 91787465
2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid
CID 662287
(3aS,6aS)-5-[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 171914201
(2S)-1-[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 171386833
6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid
CID 3378282

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide?
The IUPAC name of 2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide (CID 171916127) is 2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide.
What is the SMILES notation for 2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide?
The canonical SMILES for 2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide is CCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H]3COCC[C@H]3OC)c12.
What is the InChIKey of 2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide?
The InChIKey is NLESLMZPBZIOKA-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H25NO6/c1-4-13-9-19(23)27-17-8-12(2)7-16(20(13)17)26-11-18(22)21-14-10-25-6-5-15(14)24-3/h7-9,14-15H,4-6,10-11H2,1-3H3,(H,21,22)/t14-,15-/m1/s1.
What are the key properties of 2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide?
2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide has a molecular weight of 375.42 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide is sourced from PubChem (CID 171916127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).