1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane

C23H39NO3 — CID 173174595

IUPAC1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane
SMILESC.C.COc1cc(CC2CCN(C3CCCCCCC3)C2=O)cc(OC)c1
InChIInChI=1S/C21H31NO3.2CH4/c1-24-19-13-16(14-20(15-19)25-2)12-17-10-11-22(21(17)23)18-8-6-4-3-5-7-9-18;;/h13-15,17-18H,3-12H2,1-2H3;2*1H4
InChIKeyIKMNYYCZKGLJHA-UHFFFAOYSA-N
MW377.57 g/mol
LogP5.48
Rot. Bonds5

About 1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane

1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane (PubChem CID 173174595) has the molecular formula C23H39NO3 and a molecular weight of 377.57 g/mol. Its IUPAC name is 1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane.

Molecular Properties

Compound Name1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane
PubChem CID173174595
Molecular FormulaC23H39NO3
Molecular Weight377.57 g/mol
Exact Mass377.29
IUPAC Name1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane
SMILESC.C.COc1cc(CC2CCN(C3CCCCCCC3)C2=O)cc(OC)c1
InChIInChI=1S/C21H31NO3.2CH4/c1-24-19-13-16(14-20(15-19)25-2)12-17-10-11-22(21(17)23)18-8-6-4-3-5-7-9-18;;/h13-15,17-18H,3-12H2,1-2H3;2*1H4
InChIKeyIKMNYYCZKGLJHA-UHFFFAOYSA-N
XLogP5.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane 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

1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 173174596
(3S)-1-cyclohexyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 129383097
(3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one
CID 129365070
CID 89259056
CID 89259056
1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one
CID 11502520
1-cyclohexyl-3-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 11695680
3-[(3-chlorophenyl)methyl]-1-cyclohexylpyrrolidin-2-one
CID 11637879
(3R)-3-[(2,6-dichloro-4-methoxyphenyl)methyl]-1-(4-oxocyclohexyl)pyrrolidin-2-one
CID 124561026
3-[[6-(3-aminophenyl)naphthalen-2-yl]methyl]-1-cyclohexylpyrrolidin-2-one
CID 11675678
1-cyclohexyl-3-[[2,6-dichloro-4-(4-methylphenyl)phenyl]methyl]pyrrolidin-2-one
CID 143568177
ethyl 2-[4-[3,5-dichloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]phenoxy]acetate
CID 11569665
6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 86151500

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane?
The IUPAC name of 1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane (CID 173174595) is 1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane.
What is the SMILES notation for 1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane?
The canonical SMILES for 1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane is C.C.COc1cc(CC2CCN(C3CCCCCCC3)C2=O)cc(OC)c1.
What is the InChIKey of 1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane?
The InChIKey is IKMNYYCZKGLJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO3.2CH4/c1-24-19-13-16(14-20(15-19)25-2)12-17-10-11-22(21(17)23)18-8-6-4-3-5-7-9-18;;/h13-15,17-18H,3-12H2,1-2H3;2*1H4.
What are the key properties of 1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane?
1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane has a molecular weight of 377.57 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-3-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one;methane is sourced from PubChem (CID 173174595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).