N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide

C14H26N2O2 — CID 112995138

IUPACN-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(C)CCNC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-11(2)8-9-15-13(17)10-16-14(18)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyORRHYBLJSSTSMY-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.85
Rot. Bonds6

About N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide

N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 112995138) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide
PubChem CID112995138
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(C)CCNC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-11(2)8-9-15-13(17)10-16-14(18)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyORRHYBLJSSTSMY-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 24554571
N-[2-oxo-2-(propylamino)ethyl]cyclobutanecarboxamide
CID 112990469
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
2-(cyclobutylamino)-N-(3-methylbutyl)acetamide
CID 62414172
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111461401
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
3,3-dicyclohexyl-N-(3-methylbutyl)propanamide
CID 171725760
N-(3-methylbutyl)oxane-4-carboxamide
CID 51110017
N-(2-oxopropyl)cycloheptanecarboxamide
CID 64996887
N'-cyclododecyl-N-(3-methylbutyl)butanediamide
CID 3884403
tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate
CID 43176192
N-[2-(butan-2-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 112990807

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide (CID 112995138) is N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide is CC(C)CCNC(=O)CNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is ORRHYBLJSSTSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)8-9-15-13(17)10-16-14(18)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide?
N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 112995138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).