trans-(1R,3R)-1-N,1-N,3-N,3-N,2,2-hexamethyl-5-propan-2-ylcyclohexane-1,3-dicarboxamide

C17H32N2O2 — CID 131998414

IUPACtrans-(1R,3R)-1-N,1-N,3-N,3-N,2,2-hexamethyl-5-propan-2-ylcyclohexane-1,3-dicarboxamide
SMILESCC(C)C1C[C@@H](C(=O)N(C)C)C(C)(C)[C@H](C(=O)N(C)C)C1
InChIInChI=1S/C17H32N2O2/c1-11(2)12-9-13(15(20)18(5)6)17(3,4)14(10-12)16(21)19(7)8/h11-14H,9-10H2,1-8H3/t13-,14-/m0/s1
InChIKeyXUUGRKFEEVSNAE-KBPBESRZSA-N
MW296.45 g/mol
LogP2.49
Rot. Bonds3

About trans-(1R,3R)-1-N,1-N,3-N,3-N,2,2-hexamethyl-5-propan-2-ylcyclohexane-1,3-dicarboxamide

trans-(1R,3R)-1-N,1-N,3-N,3-N,2,2-hexamethyl-5-propan-2-ylcyclohexane-1,3-dicarboxamide (PubChem CID 131998414) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is trans-(1R,3R)-1-N,1-N,3-N,3-N,2,2-hexamethyl-5-propan-2-ylcyclohexane-1,3-dicarboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-1-N,1-N,3-N,3-N,2,2-hexamethyl-5-propan-2-ylcyclohexane-1,3-dicarboxamide
PubChem CID131998414
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametrans-(1R,3R)-1-N,1-N,3-N,3-N,2,2-hexamethyl-5-propan-2-ylcyclohexane-1,3-dicarboxamide
SMILESCC(C)C1C[C@@H](C(=O)N(C)C)C(C)(C)[C@H](C(=O)N(C)C)C1
InChIInChI=1S/C17H32N2O2/c1-11(2)12-9-13(15(20)18(5)6)17(3,4)14(10-12)16(21)19(7)8/h11-14H,9-10H2,1-8H3/t13-,14-/m0/s1
InChIKeyXUUGRKFEEVSNAE-KBPBESRZSA-N
XLogP2.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-1-N,1-N,3-N,3-N,2,2-hexamethyl-5-propan-2-ylcyclohexane-1,3-dicarboxamide?
The IUPAC name of trans-(1R,3R)-1-N,1-N,3-N,3-N,2,2-hexamethyl-5-propan-2-ylcyclohexane-1,3-dicarboxamide (CID 131998414) is trans-(1R,3R)-1-N,1-N,3-N,3-N,2,2-hexamethyl-5-propan-2-ylcyclohexane-1,3-dicarboxamide.
What is the SMILES notation for trans-(1R,3R)-1-N,1-N,3-N,3-N,2,2-hexamethyl-5-propan-2-ylcyclohexane-1,3-dicarboxamide?
The canonical SMILES for trans-(1R,3R)-1-N,1-N,3-N,3-N,2,2-hexamethyl-5-propan-2-ylcyclohexane-1,3-dicarboxamide is CC(C)C1C[C@@H](C(=O)N(C)C)C(C)(C)[C@H](C(=O)N(C)C)C1.
What is the InChIKey of trans-(1R,3R)-1-N,1-N,3-N,3-N,2,2-hexamethyl-5-propan-2-ylcyclohexane-1,3-dicarboxamide?
The InChIKey is XUUGRKFEEVSNAE-KBPBESRZSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-11(2)12-9-13(15(20)18(5)6)17(3,4)14(10-12)16(21)19(7)8/h11-14H,9-10H2,1-8H3/t13-,14-/m0/s1.
What are the key properties of trans-(1R,3R)-1-N,1-N,3-N,3-N,2,2-hexamethyl-5-propan-2-ylcyclohexane-1,3-dicarboxamide?
trans-(1R,3R)-1-N,1-N,3-N,3-N,2,2-hexamethyl-5-propan-2-ylcyclohexane-1,3-dicarboxamide has a molecular weight of 296.45 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-1-N,1-N,3-N,3-N,2,2-hexamethyl-5-propan-2-ylcyclohexane-1,3-dicarboxamide is sourced from PubChem (CID 131998414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).