1-N-butyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-dicarboxamide

C23H44N2O2 — CID 619959

IUPAC1-N-butyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-dicarboxamide
SMILESCCCCN(CCC)C(=O)C1CCCCC1C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C23H44N2O2/c1-7-9-15-24(14-8-2)22(26)20-12-10-11-13-21(20)23(27)25(16-18(3)4)17-19(5)6/h18-21H,7-17H2,1-6H3
InChIKeyJESMAKGATKYXBV-UHFFFAOYSA-N
MW380.62 g/mol
LogP4.97
Rot. Bonds11

About 1-N-butyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-dicarboxamide

1-N-butyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-dicarboxamide (PubChem CID 619959) has the molecular formula C23H44N2O2 and a molecular weight of 380.62 g/mol. Its IUPAC name is 1-N-butyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-dicarboxamide
PubChem CID619959
Molecular FormulaC23H44N2O2
Molecular Weight380.62 g/mol
Exact Mass380.34
IUPAC Name1-N-butyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-dicarboxamide
SMILESCCCCN(CCC)C(=O)C1CCCCC1C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C23H44N2O2/c1-7-9-15-24(14-8-2)22(26)20-12-10-11-13-21(20)23(27)25(16-18(3)4)17-19(5)6/h18-21H,7-17H2,1-6H3
InChIKeyJESMAKGATKYXBV-UHFFFAOYSA-N
XLogP4.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.62
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-dicarboxamide?
The IUPAC name of 1-N-butyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-dicarboxamide (CID 619959) is 1-N-butyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-butyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-dicarboxamide?
The canonical SMILES for 1-N-butyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-dicarboxamide is CCCCN(CCC)C(=O)C1CCCCC1C(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 1-N-butyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-dicarboxamide?
The InChIKey is JESMAKGATKYXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O2/c1-7-9-15-24(14-8-2)22(26)20-12-10-11-13-21(20)23(27)25(16-18(3)4)17-19(5)6/h18-21H,7-17H2,1-6H3.
What are the key properties of 1-N-butyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-dicarboxamide?
1-N-butyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-dicarboxamide has a molecular weight of 380.62 g/mol, XLogP of 4.97, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 619959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).