butane;N-methyl-N-[5-[methyl(2-methylpentanoyl)amino]hexan-3-yl]cyclohexanecarboxamide

C25H50N2O2 — CID 143376165

IUPACbutane;N-methyl-N-[5-[methyl(2-methylpentanoyl)amino]hexan-3-yl]cyclohexanecarboxamide
SMILESCCCC.CCCC(C)C(=O)N(C)C(C)CC(CC)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C21H40N2O2.C4H10/c1-7-12-16(3)20(24)22(5)17(4)15-19(8-2)23(6)21(25)18-13-10-9-11-14-18;1-3-4-2/h16-19H,7-15H2,1-6H3;3-4H2,1-2H3
InChIKeyHOBIHQXUYIWRQT-UHFFFAOYSA-N
MW410.69 g/mol
LogP6.28
Rot. Bonds10

About butane;N-methyl-N-[5-[methyl(2-methylpentanoyl)amino]hexan-3-yl]cyclohexanecarboxamide

butane;N-methyl-N-[5-[methyl(2-methylpentanoyl)amino]hexan-3-yl]cyclohexanecarboxamide (PubChem CID 143376165) has the molecular formula C25H50N2O2 and a molecular weight of 410.69 g/mol. Its IUPAC name is butane;N-methyl-N-[5-[methyl(2-methylpentanoyl)amino]hexan-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound Namebutane;N-methyl-N-[5-[methyl(2-methylpentanoyl)amino]hexan-3-yl]cyclohexanecarboxamide
PubChem CID143376165
Molecular FormulaC25H50N2O2
Molecular Weight410.69 g/mol
Exact Mass410.39
IUPAC Namebutane;N-methyl-N-[5-[methyl(2-methylpentanoyl)amino]hexan-3-yl]cyclohexanecarboxamide
SMILESCCCC.CCCC(C)C(=O)N(C)C(C)CC(CC)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C21H40N2O2.C4H10/c1-7-12-16(3)20(24)22(5)17(4)15-19(8-2)23(6)21(25)18-13-10-9-11-14-18;1-3-4-2/h16-19H,7-15H2,1-6H3;3-4H2,1-2H3
InChIKeyHOBIHQXUYIWRQT-UHFFFAOYSA-N
XLogP6.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.69
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-N-methylcyclohexanecarboxamide
CID 153425265
N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide
CID 115869363
ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate
CID 69164951
N-(1-chloropropan-2-yl)-N-methylcyclooctanecarboxamide
CID 104555564
N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
CID 112551625
N-(2-hydroxycyclohexyl)-N,2-dimethylpentanamide
CID 102634854
N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide
CID 104555934
N-(1-aminopropan-2-yl)-N-methylcyclobutanecarboxamide
CID 82503227
1-cyclobutyl-2-methylbutan-1-one
CID 79446135
(2S)-1-cyclobutyl-2-methylbutan-1-one
CID 142214969
N-(2-aminocyclohexyl)-N,2-dimethylpentanamide
CID 102639190
N-[(1S)-1-cyclopropylethyl]-N-methylcyclopentanecarboxamide
CID 52522891

Frequently Asked Questions

What is the IUPAC name of butane;N-methyl-N-[5-[methyl(2-methylpentanoyl)amino]hexan-3-yl]cyclohexanecarboxamide?
The IUPAC name of butane;N-methyl-N-[5-[methyl(2-methylpentanoyl)amino]hexan-3-yl]cyclohexanecarboxamide (CID 143376165) is butane;N-methyl-N-[5-[methyl(2-methylpentanoyl)amino]hexan-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for butane;N-methyl-N-[5-[methyl(2-methylpentanoyl)amino]hexan-3-yl]cyclohexanecarboxamide?
The canonical SMILES for butane;N-methyl-N-[5-[methyl(2-methylpentanoyl)amino]hexan-3-yl]cyclohexanecarboxamide is CCCC.CCCC(C)C(=O)N(C)C(C)CC(CC)N(C)C(=O)C1CCCCC1.
What is the InChIKey of butane;N-methyl-N-[5-[methyl(2-methylpentanoyl)amino]hexan-3-yl]cyclohexanecarboxamide?
The InChIKey is HOBIHQXUYIWRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O2.C4H10/c1-7-12-16(3)20(24)22(5)17(4)15-19(8-2)23(6)21(25)18-13-10-9-11-14-18;1-3-4-2/h16-19H,7-15H2,1-6H3;3-4H2,1-2H3.
What are the key properties of butane;N-methyl-N-[5-[methyl(2-methylpentanoyl)amino]hexan-3-yl]cyclohexanecarboxamide?
butane;N-methyl-N-[5-[methyl(2-methylpentanoyl)amino]hexan-3-yl]cyclohexanecarboxamide has a molecular weight of 410.69 g/mol, XLogP of 6.28, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-methyl-N-[5-[methyl(2-methylpentanoyl)amino]hexan-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 143376165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).