2-cyclohexyl-3-methyl-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide

C27H52N2O2 — CID 628033

IUPAC2-cyclohexyl-3-methyl-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide
SMILESCC(C)CN(CC(C)C)C(=O)C(C)C(C(=O)N(CC(C)C)CC(C)C)C1CCCCC1
InChIInChI=1S/C27H52N2O2/c1-19(2)15-28(16-20(3)4)26(30)23(9)25(24-13-11-10-12-14-24)27(31)29(17-21(5)6)18-22(7)8/h19-25H,10-18H2,1-9H3
InChIKeyJHSHPIVYFKFUMP-UHFFFAOYSA-N
MW436.73 g/mol
LogP6.10
Rot. Bonds12

About 2-cyclohexyl-3-methyl-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide

2-cyclohexyl-3-methyl-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide (PubChem CID 628033) has the molecular formula C27H52N2O2 and a molecular weight of 436.73 g/mol. Its IUPAC name is 2-cyclohexyl-3-methyl-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide.

Molecular Properties

Compound Name2-cyclohexyl-3-methyl-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide
PubChem CID628033
Molecular FormulaC27H52N2O2
Molecular Weight436.73 g/mol
Exact Mass436.40
IUPAC Name2-cyclohexyl-3-methyl-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide
SMILESCC(C)CN(CC(C)C)C(=O)C(C)C(C(=O)N(CC(C)C)CC(C)C)C1CCCCC1
InChIInChI=1S/C27H52N2O2/c1-19(2)15-28(16-20(3)4)26(30)23(9)25(24-13-11-10-12-14-24)27(31)29(17-21(5)6)18-22(7)8/h19-25H,10-18H2,1-9H3
InChIKeyJHSHPIVYFKFUMP-UHFFFAOYSA-N
XLogP6.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.73
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-methyl-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide?
The IUPAC name of 2-cyclohexyl-3-methyl-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide (CID 628033) is 2-cyclohexyl-3-methyl-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide.
What is the SMILES notation for 2-cyclohexyl-3-methyl-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide?
The canonical SMILES for 2-cyclohexyl-3-methyl-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide is CC(C)CN(CC(C)C)C(=O)C(C)C(C(=O)N(CC(C)C)CC(C)C)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-methyl-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide?
The InChIKey is JHSHPIVYFKFUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52N2O2/c1-19(2)15-28(16-20(3)4)26(30)23(9)25(24-13-11-10-12-14-24)27(31)29(17-21(5)6)18-22(7)8/h19-25H,10-18H2,1-9H3.
What are the key properties of 2-cyclohexyl-3-methyl-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide?
2-cyclohexyl-3-methyl-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide has a molecular weight of 436.73 g/mol, XLogP of 6.10, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-methyl-N,N,N',N'-tetrakis(2-methylpropyl)butanediamide is sourced from PubChem (CID 628033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).