cis-(1S,2R)-2-N-[(1S)-2-oxocyclohexyl]cyclohexane-1,2-dicarboxamide

C14H22N2O3 — CID 69205224

IUPACcis-(1S,2R)-2-N-[(1S)-2-oxocyclohexyl]cyclohexane-1,2-dicarboxamide
SMILESNC(=O)[C@H]1CCCC[C@H]1C(=O)N[C@H]1CCCCC1=O
InChIInChI=1S/C14H22N2O3/c15-13(18)9-5-1-2-6-10(9)14(19)16-11-7-3-4-8-12(11)17/h9-11H,1-8H2,(H2,15,18)(H,16,19)/t9-,10+,11-/m0/s1
InChIKeyPDWBDSMFNJMYKT-AXFHLTTASA-N
MW266.34 g/mol
LogP0.91
Rot. Bonds3

About cis-(1S,2R)-2-N-[(1S)-2-oxocyclohexyl]cyclohexane-1,2-dicarboxamide

cis-(1S,2R)-2-N-[(1S)-2-oxocyclohexyl]cyclohexane-1,2-dicarboxamide (PubChem CID 69205224) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is cis-(1S,2R)-2-N-[(1S)-2-oxocyclohexyl]cyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-N-[(1S)-2-oxocyclohexyl]cyclohexane-1,2-dicarboxamide
PubChem CID69205224
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namecis-(1S,2R)-2-N-[(1S)-2-oxocyclohexyl]cyclohexane-1,2-dicarboxamide
SMILESNC(=O)[C@H]1CCCC[C@H]1C(=O)N[C@H]1CCCCC1=O
InChIInChI=1S/C14H22N2O3/c15-13(18)9-5-1-2-6-10(9)14(19)16-11-7-3-4-8-12(11)17/h9-11H,1-8H2,(H2,15,18)(H,16,19)/t9-,10+,11-/m0/s1
InChIKeyPDWBDSMFNJMYKT-AXFHLTTASA-N
XLogP0.91
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-N-[(1S)-2-oxocyclohexyl]cyclohexane-1,2-dicarboxamide?
The IUPAC name of cis-(1S,2R)-2-N-[(1S)-2-oxocyclohexyl]cyclohexane-1,2-dicarboxamide (CID 69205224) is cis-(1S,2R)-2-N-[(1S)-2-oxocyclohexyl]cyclohexane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1S,2R)-2-N-[(1S)-2-oxocyclohexyl]cyclohexane-1,2-dicarboxamide?
The canonical SMILES for cis-(1S,2R)-2-N-[(1S)-2-oxocyclohexyl]cyclohexane-1,2-dicarboxamide is NC(=O)[C@H]1CCCC[C@H]1C(=O)N[C@H]1CCCCC1=O.
What is the InChIKey of cis-(1S,2R)-2-N-[(1S)-2-oxocyclohexyl]cyclohexane-1,2-dicarboxamide?
The InChIKey is PDWBDSMFNJMYKT-AXFHLTTASA-N. The full InChI is InChI=1S/C14H22N2O3/c15-13(18)9-5-1-2-6-10(9)14(19)16-11-7-3-4-8-12(11)17/h9-11H,1-8H2,(H2,15,18)(H,16,19)/t9-,10+,11-/m0/s1.
What are the key properties of cis-(1S,2R)-2-N-[(1S)-2-oxocyclohexyl]cyclohexane-1,2-dicarboxamide?
cis-(1S,2R)-2-N-[(1S)-2-oxocyclohexyl]cyclohexane-1,2-dicarboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-N-[(1S)-2-oxocyclohexyl]cyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 69205224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).