2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-(oxolan-2-ylmethyl)acetamide

C18H23NO5 — CID 3242964

IUPAC2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC1(C)CC(=O)c2cc(OCC(=O)NCC3CCCO3)ccc2O1
InChIInChI=1S/C18H23NO5/c1-18(2)9-15(20)14-8-12(5-6-16(14)24-18)23-11-17(21)19-10-13-4-3-7-22-13/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,19,21)
InChIKeyZHBUCGYQQJSGFU-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.10
Rot. Bonds5

About 2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-(oxolan-2-ylmethyl)acetamide

2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3242964) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3242964
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC1(C)CC(=O)c2cc(OCC(=O)NCC3CCCO3)ccc2O1
InChIInChI=1S/C18H23NO5/c1-18(2)9-15(20)14-8-12(5-6-16(14)24-18)23-11-17(21)19-10-13-4-3-7-22-13/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,19,21)
InChIKeyZHBUCGYQQJSGFU-UHFFFAOYSA-N
XLogP2.10
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-methoxybenzoate
CID 4188919
2-(2-formyl-4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 5141739
R,S-2-{2-[(2-hydroxybutyl)amino]ethoxy}-9H-xanthen-9-one hydrochloride (8a)
CID 126961568
R,S-2-{2-[(1-hydroxybutan-2-yl]amino)ethoxy}-9H-xanthen-9-one (9)
CID 126961569
N-(2-furylmethyl)-2-[(4-oxo-2-phenyl-4H-chromen-6-yl)oxy]acetamide
CID 1179211
4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]chromene-2-carboxamide
CID 2346191
2-[(1'-acetyl-4-oxo-3,4-dihydrospiro[chromene-2,4'-piperidin]-6-yl)oxy]-N-(4-methylbenzyl)acetamide
CID 3236162
4-[2-[(1'-acetyl-4-oxo-6-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]yl)oxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
CID 3238189
Ethyl [(1'-acetyl-4-oxo-3,4-dihydrospiro[chromene-2,4'-piperidin]-6-yl)oxy]acetate
CID 3243095
6-(2-morpholin-4-yl-2-oxoethoxy)spiro[chromene-2,1'-cyclohexan]-4(3H)-one
CID 3243855
2-[(1'-acetyl-4-oxo-3,4-dihydrospiro[chromene-2,4'-piperidin]-6-yl)oxy]-N-(2-furylmethyl)acetamide
CID 3244598
1'-acetyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]spiro[chromene-2,4'-piperidin]-4(3H)-one
CID 3245072

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-(oxolan-2-ylmethyl)acetamide (CID 3242964) is 2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-(oxolan-2-ylmethyl)acetamide is CC1(C)CC(=O)c2cc(OCC(=O)NCC3CCCO3)ccc2O1.
What is the InChIKey of 2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is ZHBUCGYQQJSGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-18(2)9-15(20)14-8-12(5-6-16(14)24-18)23-11-17(21)19-10-13-4-3-7-22-13/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,19,21).
What are the key properties of 2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-(oxolan-2-ylmethyl)acetamide?
2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 333.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3242964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).