N-cyclopropyl-2-methyl-3,5-dioxo-4-[(3,4,5-trimethoxyphenyl)methyl]oxolane-2-carboxamide

C19H23NO7 — CID 91932950

IUPACN-cyclopropyl-2-methyl-3,5-dioxo-4-[(3,4,5-trimethoxyphenyl)methyl]oxolane-2-carboxamide
SMILESCOc1cc(CC2C(=O)OC(C)(C(=O)NC3CC3)C2=O)cc(OC)c1OC
InChIInChI=1S/C19H23NO7/c1-19(18(23)20-11-5-6-11)16(21)12(17(22)27-19)7-10-8-13(24-2)15(26-4)14(9-10)25-3/h8-9,11-12H,5-7H2,1-4H3,(H,20,23)
InChIKeyXUYAYEVZAROZTL-UHFFFAOYSA-N
MW377.39 g/mol
LogP1.03
Rot. Bonds7

About N-cyclopropyl-2-methyl-3,5-dioxo-4-[(3,4,5-trimethoxyphenyl)methyl]oxolane-2-carboxamide

N-cyclopropyl-2-methyl-3,5-dioxo-4-[(3,4,5-trimethoxyphenyl)methyl]oxolane-2-carboxamide (PubChem CID 91932950) has the molecular formula C19H23NO7 and a molecular weight of 377.39 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-3,5-dioxo-4-[(3,4,5-trimethoxyphenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-3,5-dioxo-4-[(3,4,5-trimethoxyphenyl)methyl]oxolane-2-carboxamide
PubChem CID91932950
Molecular FormulaC19H23NO7
Molecular Weight377.39 g/mol
Exact Mass377.15
IUPAC NameN-cyclopropyl-2-methyl-3,5-dioxo-4-[(3,4,5-trimethoxyphenyl)methyl]oxolane-2-carboxamide
SMILESCOc1cc(CC2C(=O)OC(C)(C(=O)NC3CC3)C2=O)cc(OC)c1OC
InChIInChI=1S/C19H23NO7/c1-19(18(23)20-11-5-6-11)16(21)12(17(22)27-19)7-10-8-13(24-2)15(26-4)14(9-10)25-3/h8-9,11-12H,5-7H2,1-4H3,(H,20,23)
InChIKeyXUYAYEVZAROZTL-UHFFFAOYSA-N
XLogP1.03
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2365804
5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 10334619
3-cyclopropyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 113095862
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019107
N-cyclopropyl-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431699
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019249
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8885722
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 7706439
3-cyclohexyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 113095856
3-[(3-chloro-4,5-dimethoxyphenyl)methylamino]-N-cyclopropylpropanamide
CID 78978873
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
5-[(3-methoxy-4-nitrophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 68512960

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-3,5-dioxo-4-[(3,4,5-trimethoxyphenyl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-cyclopropyl-2-methyl-3,5-dioxo-4-[(3,4,5-trimethoxyphenyl)methyl]oxolane-2-carboxamide (CID 91932950) is N-cyclopropyl-2-methyl-3,5-dioxo-4-[(3,4,5-trimethoxyphenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-3,5-dioxo-4-[(3,4,5-trimethoxyphenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-cyclopropyl-2-methyl-3,5-dioxo-4-[(3,4,5-trimethoxyphenyl)methyl]oxolane-2-carboxamide is COc1cc(CC2C(=O)OC(C)(C(=O)NC3CC3)C2=O)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-2-methyl-3,5-dioxo-4-[(3,4,5-trimethoxyphenyl)methyl]oxolane-2-carboxamide?
The InChIKey is XUYAYEVZAROZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO7/c1-19(18(23)20-11-5-6-11)16(21)12(17(22)27-19)7-10-8-13(24-2)15(26-4)14(9-10)25-3/h8-9,11-12H,5-7H2,1-4H3,(H,20,23).
What are the key properties of N-cyclopropyl-2-methyl-3,5-dioxo-4-[(3,4,5-trimethoxyphenyl)methyl]oxolane-2-carboxamide?
N-cyclopropyl-2-methyl-3,5-dioxo-4-[(3,4,5-trimethoxyphenyl)methyl]oxolane-2-carboxamide has a molecular weight of 377.39 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-3,5-dioxo-4-[(3,4,5-trimethoxyphenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 91932950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).