4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one

C18H26N2O2 — CID 82193310

IUPAC4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one
SMILESCCOc1cccc(C2C(N)CC(=O)N2C2CCCCC2)c1
InChIInChI=1S/C18H26N2O2/c1-2-22-15-10-6-7-13(11-15)18-16(19)12-17(21)20(18)14-8-4-3-5-9-14/h6-7,10-11,14,16,18H,2-5,8-9,12,19H2,1H3
InChIKeyXJGRQCALGFSJDF-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.02
Rot. Bonds4

About 4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one

4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one (PubChem CID 82193310) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one
PubChem CID82193310
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one
SMILESCCOc1cccc(C2C(N)CC(=O)N2C2CCCCC2)c1
InChIInChI=1S/C18H26N2O2/c1-2-22-15-10-6-7-13(11-15)18-16(19)12-17(21)20(18)14-8-4-3-5-9-14/h6-7,10-11,14,16,18H,2-5,8-9,12,19H2,1H3
InChIKeyXJGRQCALGFSJDF-UHFFFAOYSA-N
XLogP3.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one
CID 94933876
4-amino-1-cyclohexyl-5-(4-methylphenyl)pyrrolidin-2-one
CID 82193297
1-cyclopentyl-2-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108636935
9-[(3-ethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 62712156
(4Z)-1-cyclohexyl-5-(3-ethoxyphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione
CID 108596586
(4E)-1-cyclohexyl-4-[(2,5-dimethylphenyl)-hydroxymethylidene]-5-(3-ethoxyphenyl)pyrrolidine-2,3-dione
CID 108596552
2-(3-ethoxyphenyl)oxan-3-amine
CID 79365505
(4Z)-1-cyclopentyl-5-(3-ethoxyphenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]pyrrolidine-2,3-dione
CID 108636942
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
(4Z)-1-cyclohexyl-5-(3-ethoxyphenyl)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione
CID 108596537
(4Z)-1-cyclopentyl-4-[(3,4-dimethylphenyl)-hydroxymethylidene]-5-(3-ethoxyphenyl)pyrrolidine-2,3-dione
CID 108636903
(4Z)-1-cyclopentyl-5-(3-ethoxyphenyl)-4-[hydroxy-(3-propoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 108636891

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one (CID 82193310) is 4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one is CCOc1cccc(C2C(N)CC(=O)N2C2CCCCC2)c1.
What is the InChIKey of 4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one?
The InChIKey is XJGRQCALGFSJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-22-15-10-6-7-13(11-15)18-16(19)12-17(21)20(18)14-8-4-3-5-9-14/h6-7,10-11,14,16,18H,2-5,8-9,12,19H2,1H3.
What are the key properties of 4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one?
4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one has a molecular weight of 302.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 82193310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).