N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide

C12H20ClNO2 — CID 106133423

IUPACN-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide
SMILESO=C(NCC1CCC(Cl)CC1)C1CCOC1
InChIInChI=1S/C12H20ClNO2/c13-11-3-1-9(2-4-11)7-14-12(15)10-5-6-16-8-10/h9-11H,1-8H2,(H,14,15)
InChIKeySNSPOXIZTYFDFP-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.94
Rot. Bonds3

About N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide

N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide (PubChem CID 106133423) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide
PubChem CID106133423
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC NameN-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide
SMILESO=C(NCC1CCC(Cl)CC1)C1CCOC1
InChIInChI=1S/C12H20ClNO2/c13-11-3-1-9(2-4-11)7-14-12(15)10-5-6-16-8-10/h9-11H,1-8H2,(H,14,15)
InChIKeySNSPOXIZTYFDFP-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[(4-chlorocyclohexyl)methyl]oxolane-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

N-(piperidin-3-ylmethyl)oxolane-3-carboxamide
CID 61271600
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide
CID 131907956
N-[(3-chlorocyclohexyl)methyl]oxane-4-carboxamide
CID 106132213
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide
CID 114313897
N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide
CID 79039521
N-[[1-(chloromethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103969555
N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 131950838
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide
CID 61276568
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide (CID 106133423) is N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide is O=C(NCC1CCC(Cl)CC1)C1CCOC1.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide?
The InChIKey is SNSPOXIZTYFDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2/c13-11-3-1-9(2-4-11)7-14-12(15)10-5-6-16-8-10/h9-11H,1-8H2,(H,14,15).
What are the key properties of N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide?
N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide has a molecular weight of 245.75 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 106133423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).