N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide

C13H25NO2 — CID 115869363

IUPACN-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide
SMILESCC(CO)N(C)C(=O)C1CCCCCCC1
InChIInChI=1S/C13H25NO2/c1-11(10-15)14(2)13(16)12-8-6-4-3-5-7-9-12/h11-12,15H,3-10H2,1-2H3
InChIKeyGFAFEAIXZMXMTQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.19
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide

N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide (PubChem CID 115869363) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide
PubChem CID115869363
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide
SMILESCC(CO)N(C)C(=O)C1CCCCCCC1
InChIInChI=1S/C13H25NO2/c1-11(10-15)14(2)13(16)12-8-6-4-3-5-7-9-12/h11-12,15H,3-10H2,1-2H3
InChIKeyGFAFEAIXZMXMTQ-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 115765115
N-butan-2-yl-N-methylcyclohexanecarboxamide
CID 153425265
N-(1-chloropropan-2-yl)-N-methylcyclooctanecarboxamide
CID 104555564
4,4-difluoro-N-(1-hydroxypropan-2-yl)-N-methylcyclohexane-1-carboxamide
CID 115869444
N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide
CID 109388602
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 112548115
N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide
CID 104555934
N-(1-aminopropan-2-yl)-N-methylcyclobutanecarboxamide
CID 82503227
ethyl (2R)-2-[cyclohexanecarbonyl(methyl)amino]propanoate
CID 69164951
1-(cyclopropanecarbonyl)-N-(1-hydroxypropan-2-yl)-N-methylpiperidine-4-carboxamide
CID 112548091
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide
CID 76987598
N-[(1S)-1-cyclopropylethyl]-N-methylcyclopentanecarboxamide
CID 52522891

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide (CID 115869363) is N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide is CC(CO)N(C)C(=O)C1CCCCCCC1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide?
The InChIKey is GFAFEAIXZMXMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(10-15)14(2)13(16)12-8-6-4-3-5-7-9-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide?
N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide is sourced from PubChem (CID 115869363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).