N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide

C18H28N2O3 — CID 128642734

IUPACN-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESO=C(CC1CC2CCC1O2)NC1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C18H28N2O3/c21-17(9-12-8-15-6-7-16(12)23-15)19-13-10-18(22)20(11-13)14-4-2-1-3-5-14/h12-16H,1-11H2,(H,19,21)
InChIKeyIWJFHNBTEJLIRI-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.99
Rot. Bonds4

About N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide

N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide (PubChem CID 128642734) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
PubChem CID128642734
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESO=C(CC1CC2CCC1O2)NC1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C18H28N2O3/c21-17(9-12-8-15-6-7-16(12)23-15)19-13-10-18(22)20(11-13)14-4-2-1-3-5-14/h12-16H,1-11H2,(H,19,21)
InChIKeyIWJFHNBTEJLIRI-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide 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

N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 26410011
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-piperidin-1-ylacetamide
CID 45251324
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 42474957
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 95985167
2-(cyclopropylmethylamino)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)acetamide
CID 119789619
3-amino-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide;hydrochloride
CID 119327016
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-methylbutanamide
CID 110719693
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 95968730
1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea
CID 25281458
3-(3-amino-1H-1,2,4-triazol-5-yl)-N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)propanamide
CID 56914888
4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride
CID 120937591
1-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 71914618

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The IUPAC name of N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide (CID 128642734) is N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide.
What is the SMILES notation for N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The canonical SMILES for N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide is O=C(CC1CC2CCC1O2)NC1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The InChIKey is IWJFHNBTEJLIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c21-17(9-12-8-15-6-7-16(12)23-15)19-13-10-18(22)20(11-13)14-4-2-1-3-5-14/h12-16H,1-11H2,(H,19,21).
What are the key properties of N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide has a molecular weight of 320.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-2-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide is sourced from PubChem (CID 128642734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).