N-cycloheptyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide

C20H27NO5 — CID 3236247

IUPACN-cycloheptyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide
SMILESCOc1ccc(C2OC(=O)CC2C(=O)NC2CCCCCC2)cc1OC
InChIInChI=1S/C20H27NO5/c1-24-16-10-9-13(11-17(16)25-2)19-15(12-18(22)26-19)20(23)21-14-7-5-3-4-6-8-14/h9-11,14-15,19H,3-8,12H2,1-2H3,(H,21,23)
InChIKeyHLQQXTJKWQSAPF-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.15
Rot. Bonds5

About N-cycloheptyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide

N-cycloheptyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide (PubChem CID 3236247) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-cycloheptyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide
PubChem CID3236247
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC NameN-cycloheptyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide
SMILESCOc1ccc(C2OC(=O)CC2C(=O)NC2CCCCCC2)cc1OC
InChIInChI=1S/C20H27NO5/c1-24-16-10-9-13(11-17(16)25-2)19-15(12-18(22)26-19)20(23)21-14-7-5-3-4-6-8-14/h9-11,14-15,19H,3-8,12H2,1-2H3,(H,21,23)
InChIKeyHLQQXTJKWQSAPF-UHFFFAOYSA-N
XLogP3.15
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cycloheptyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Azabicyclo(3.2.1)octan-3-yl 3,4-dimethoxybenzoate
CID 279064
N-isopropyl-2-(4-methoxyphenyl)-5-oxotetrahydrofuran-3-carboxamide
CID 3244745
N-(2-chlorobenzyl)-2-(3,4-dimethoxyphenyl)-5-oxotetrahydrofuran-3-carboxamide
CID 4229367
N-(4-chlorobenzyl)-2-(3,4-dimethoxyphenyl)-5-oxotetrahydrofuran-3-carboxamide
CID 4229368
2-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)-5-oxooxolane-3-carboxamide
CID 9551177
2-[(3,4-dimethoxyphenyl)(hydroxy)methyl]-N,N'-bis(3-isopropoxypropyl)succinamide
CID 3243428
2-(3,4-dimethoxyphenyl)-N-(4-fluorobenzyl)-5-oxotetrahydrofuran-3-carboxamide
CID 4229374
2-(3,4-dimethoxyphenyl)-N-(4-methylbenzyl)-5-oxotetrahydrofuran-3-carboxamide
CID 16193950
N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide
CID 57327690
3-[5-(Dithiolan-3-yl)pentanoylamino]propyl 2-(3,4-dimethoxyphenyl)acetate
CID 162655679
Ethyl 4-(3,4-dimethoxyphenyl)-2-oxo-3-pyrrolidinecarboxylate
CID 13248011
[(2S,3R,4S,5S)-2,5-bis(4-hydroxy-3-methoxyphenyl)-4-[2-(4-hydroxyphenyl)ethylcarbamoyl]oxolan-3-yl]methyl acetate
CID 101678876

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide?
The IUPAC name of N-cycloheptyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide (CID 3236247) is N-cycloheptyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide is COc1ccc(C2OC(=O)CC2C(=O)NC2CCCCCC2)cc1OC.
What is the InChIKey of N-cycloheptyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide?
The InChIKey is HLQQXTJKWQSAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5/c1-24-16-10-9-13(11-17(16)25-2)19-15(12-18(22)26-19)20(23)21-14-7-5-3-4-6-8-14/h9-11,14-15,19H,3-8,12H2,1-2H3,(H,21,23).
What are the key properties of N-cycloheptyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide?
N-cycloheptyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxamide is sourced from PubChem (CID 3236247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).