cis-(1R,2S)-2-N,2-N-dicyclohexyl-1-N,1-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide

C28H50N2O2 — CID 21120833

IUPACcis-(1R,2S)-2-N,2-N-dicyclohexyl-1-N,1-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H50N2O2/c1-21(2)19-29(20-22(3)4)27(31)25-17-11-12-18-26(25)28(32)30(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h21-26H,5-20H2,1-4H3/t25-,26+/m1/s1
InChIKeyQGKITQHJONXIQV-FTJBHMTQSA-N
MW446.72 g/mol
LogP6.43
Rot. Bonds8

About cis-(1R,2S)-2-N,2-N-dicyclohexyl-1-N,1-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide

cis-(1R,2S)-2-N,2-N-dicyclohexyl-1-N,1-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide (PubChem CID 21120833) has the molecular formula C28H50N2O2 and a molecular weight of 446.72 g/mol. Its IUPAC name is cis-(1R,2S)-2-N,2-N-dicyclohexyl-1-N,1-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-N,2-N-dicyclohexyl-1-N,1-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide
PubChem CID21120833
Molecular FormulaC28H50N2O2
Molecular Weight446.72 g/mol
Exact Mass446.39
IUPAC Namecis-(1R,2S)-2-N,2-N-dicyclohexyl-1-N,1-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C28H50N2O2/c1-21(2)19-29(20-22(3)4)27(31)25-17-11-12-18-26(25)28(32)30(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h21-26H,5-20H2,1-4H3/t25-,26+/m1/s1
InChIKeyQGKITQHJONXIQV-FTJBHMTQSA-N
XLogP6.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.72
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-N,2-N-dicyclohexyl-1-N,1-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide?
The IUPAC name of cis-(1R,2S)-2-N,2-N-dicyclohexyl-1-N,1-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide (CID 21120833) is cis-(1R,2S)-2-N,2-N-dicyclohexyl-1-N,1-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1R,2S)-2-N,2-N-dicyclohexyl-1-N,1-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide?
The canonical SMILES for cis-(1R,2S)-2-N,2-N-dicyclohexyl-1-N,1-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide is CC(C)CN(CC(C)C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of cis-(1R,2S)-2-N,2-N-dicyclohexyl-1-N,1-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide?
The InChIKey is QGKITQHJONXIQV-FTJBHMTQSA-N. The full InChI is InChI=1S/C28H50N2O2/c1-21(2)19-29(20-22(3)4)27(31)25-17-11-12-18-26(25)28(32)30(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h21-26H,5-20H2,1-4H3/t25-,26+/m1/s1.
What are the key properties of cis-(1R,2S)-2-N,2-N-dicyclohexyl-1-N,1-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide?
cis-(1R,2S)-2-N,2-N-dicyclohexyl-1-N,1-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide has a molecular weight of 446.72 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-N,2-N-dicyclohexyl-1-N,1-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 21120833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).