cis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide

C18H27N3O2 — CID 129330273

IUPACcis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1C[C@H]1C1CCCCC1
InChIInChI=1S/C18H27N3O2/c1-21-9-8-19-17(21)16-15(7-10-23-16)20-18(22)14-11-13(14)12-5-3-2-4-6-12/h8-9,12-16H,2-7,10-11H2,1H3,(H,20,22)/t13-,14+,15-,16-/m0/s1
InChIKeyHSDPLFDXNICPAT-FZKCQIBNSA-N
MW317.43 g/mol
LogP2.58
Rot. Bonds4

About cis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide (PubChem CID 129330273) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is cis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide
PubChem CID129330273
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Namecis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1C[C@H]1C1CCCCC1
InChIInChI=1S/C18H27N3O2/c1-21-9-8-19-17(21)16-15(7-10-23-16)20-18(22)14-11-13(14)12-5-3-2-4-6-12/h8-9,12-16H,2-7,10-11H2,1H3,(H,20,22)/t13-,14+,15-,16-/m0/s1
InChIKeyHSDPLFDXNICPAT-FZKCQIBNSA-N
XLogP2.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide (CID 129330273) is cis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide is Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1C[C@H]1C1CCCCC1.
What is the InChIKey of cis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide?
The InChIKey is HSDPLFDXNICPAT-FZKCQIBNSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-21-9-8-19-17(21)16-15(7-10-23-16)20-18(22)14-11-13(14)12-5-3-2-4-6-12/h8-9,12-16H,2-7,10-11H2,1H3,(H,20,22)/t13-,14+,15-,16-/m0/s1.
What are the key properties of cis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-cyclohexyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 129330273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).