trans-(1S,2S)-1-N,1-N,2-N,2-N-tetraethylcyclohexane-1,2-dicarboxamide

C16H30N2O2 — CID 22294698

IUPACtrans-(1S,2S)-1-N,1-N,2-N,2-N-tetraethylcyclohexane-1,2-dicarboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCC[C@@H]1C(=O)N(CC)CC
InChIInChI=1S/C16H30N2O2/c1-5-17(6-2)15(19)13-11-9-10-12-14(13)16(20)18(7-3)8-4/h13-14H,5-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyQETRJPJWNBADCX-KBPBESRZSA-N
MW282.43 g/mol
LogP2.53
Rot. Bonds6

About trans-(1S,2S)-1-N,1-N,2-N,2-N-tetraethylcyclohexane-1,2-dicarboxamide

trans-(1S,2S)-1-N,1-N,2-N,2-N-tetraethylcyclohexane-1,2-dicarboxamide (PubChem CID 22294698) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is trans-(1S,2S)-1-N,1-N,2-N,2-N-tetraethylcyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-1-N,1-N,2-N,2-N-tetraethylcyclohexane-1,2-dicarboxamide
PubChem CID22294698
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametrans-(1S,2S)-1-N,1-N,2-N,2-N-tetraethylcyclohexane-1,2-dicarboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCC[C@@H]1C(=O)N(CC)CC
InChIInChI=1S/C16H30N2O2/c1-5-17(6-2)15(19)13-11-9-10-12-14(13)16(20)18(7-3)8-4/h13-14H,5-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyQETRJPJWNBADCX-KBPBESRZSA-N
XLogP2.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-N,1-N,2-N,2-N-tetraethylcyclohexane-1,2-dicarboxamide?
The IUPAC name of trans-(1S,2S)-1-N,1-N,2-N,2-N-tetraethylcyclohexane-1,2-dicarboxamide (CID 22294698) is trans-(1S,2S)-1-N,1-N,2-N,2-N-tetraethylcyclohexane-1,2-dicarboxamide.
What is the SMILES notation for trans-(1S,2S)-1-N,1-N,2-N,2-N-tetraethylcyclohexane-1,2-dicarboxamide?
The canonical SMILES for trans-(1S,2S)-1-N,1-N,2-N,2-N-tetraethylcyclohexane-1,2-dicarboxamide is CCN(CC)C(=O)[C@H]1CCCC[C@@H]1C(=O)N(CC)CC.
What is the InChIKey of trans-(1S,2S)-1-N,1-N,2-N,2-N-tetraethylcyclohexane-1,2-dicarboxamide?
The InChIKey is QETRJPJWNBADCX-KBPBESRZSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-17(6-2)15(19)13-11-9-10-12-14(13)16(20)18(7-3)8-4/h13-14H,5-12H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-1-N,1-N,2-N,2-N-tetraethylcyclohexane-1,2-dicarboxamide?
trans-(1S,2S)-1-N,1-N,2-N,2-N-tetraethylcyclohexane-1,2-dicarboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-N,1-N,2-N,2-N-tetraethylcyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 22294698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).