1-cyclohexyl-2-methylpropan-1-one;N-methyl-N'-(3-methylpentyl)pentanediamide;molecular hydrogen

C22H46N2O3 — CID 177358052

IUPAC1-cyclohexyl-2-methylpropan-1-one;N-methyl-N'-(3-methylpentyl)pentanediamide;molecular hydrogen
SMILESCC(C)C(=O)C1CCCCC1.CCC(C)CCNC(=O)CCCC(=O)NC.[H][H].[H][H]
InChIInChI=1S/C12H24N2O2.C10H18O.2H2/c1-4-10(2)8-9-14-12(16)7-5-6-11(15)13-3;1-8(2)10(11)9-6-4-3-5-7-9;;/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16);8-9H,3-7H2,1-2H3;2*1H
InChIKeyBXNUVLPOOXFLHL-UHFFFAOYSA-N
MW386.62 g/mol
LogP4.74
Rot. Bonds10

About 1-cyclohexyl-2-methylpropan-1-one;N-methyl-N'-(3-methylpentyl)pentanediamide;molecular hydrogen

1-cyclohexyl-2-methylpropan-1-one;N-methyl-N'-(3-methylpentyl)pentanediamide;molecular hydrogen (PubChem CID 177358052) has the molecular formula C22H46N2O3 and a molecular weight of 386.62 g/mol. Its IUPAC name is 1-cyclohexyl-2-methylpropan-1-one;N-methyl-N'-(3-methylpentyl)pentanediamide;molecular hydrogen.

Molecular Properties

Compound Name1-cyclohexyl-2-methylpropan-1-one;N-methyl-N'-(3-methylpentyl)pentanediamide;molecular hydrogen
PubChem CID177358052
Molecular FormulaC22H46N2O3
Molecular Weight386.62 g/mol
Exact Mass386.35
IUPAC Name1-cyclohexyl-2-methylpropan-1-one;N-methyl-N'-(3-methylpentyl)pentanediamide;molecular hydrogen
SMILESCC(C)C(=O)C1CCCCC1.CCC(C)CCNC(=O)CCCC(=O)NC.[H][H].[H][H]
InChIInChI=1S/C12H24N2O2.C10H18O.2H2/c1-4-10(2)8-9-14-12(16)7-5-6-11(15)13-3;1-8(2)10(11)9-6-4-3-5-7-9;;/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16);8-9H,3-7H2,1-2H3;2*1H
InChIKeyBXNUVLPOOXFLHL-UHFFFAOYSA-N
XLogP4.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methylpropan-1-one;N-methyl-N'-(3-methylpentyl)pentanediamide;molecular hydrogen?
The IUPAC name of 1-cyclohexyl-2-methylpropan-1-one;N-methyl-N'-(3-methylpentyl)pentanediamide;molecular hydrogen (CID 177358052) is 1-cyclohexyl-2-methylpropan-1-one;N-methyl-N'-(3-methylpentyl)pentanediamide;molecular hydrogen.
What is the SMILES notation for 1-cyclohexyl-2-methylpropan-1-one;N-methyl-N'-(3-methylpentyl)pentanediamide;molecular hydrogen?
The canonical SMILES for 1-cyclohexyl-2-methylpropan-1-one;N-methyl-N'-(3-methylpentyl)pentanediamide;molecular hydrogen is CC(C)C(=O)C1CCCCC1.CCC(C)CCNC(=O)CCCC(=O)NC.[H][H].[H][H].
What is the InChIKey of 1-cyclohexyl-2-methylpropan-1-one;N-methyl-N'-(3-methylpentyl)pentanediamide;molecular hydrogen?
The InChIKey is BXNUVLPOOXFLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C10H18O.2H2/c1-4-10(2)8-9-14-12(16)7-5-6-11(15)13-3;1-8(2)10(11)9-6-4-3-5-7-9;;/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16);8-9H,3-7H2,1-2H3;2*1H.
What are the key properties of 1-cyclohexyl-2-methylpropan-1-one;N-methyl-N'-(3-methylpentyl)pentanediamide;molecular hydrogen?
1-cyclohexyl-2-methylpropan-1-one;N-methyl-N'-(3-methylpentyl)pentanediamide;molecular hydrogen has a molecular weight of 386.62 g/mol, XLogP of 4.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methylpropan-1-one;N-methyl-N'-(3-methylpentyl)pentanediamide;molecular hydrogen is sourced from PubChem (CID 177358052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).