N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide

C15H30N2O2 — CID 103840050

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide
SMILESCN(C)CC(C)(O)CNC(=O)C1CCCCCCC1
InChIInChI=1S/C15H30N2O2/c1-15(19,12-17(2)3)11-16-14(18)13-9-7-5-4-6-8-10-13/h13,19H,4-12H2,1-3H3,(H,16,18)
InChIKeyVRUUYMUMQSTRIA-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.78
Rot. Bonds5

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide (PubChem CID 103840050) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide
PubChem CID103840050
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide
SMILESCN(C)CC(C)(O)CNC(=O)C1CCCCCCC1
InChIInChI=1S/C15H30N2O2/c1-15(19,12-17(2)3)11-16-14(18)13-9-7-5-4-6-8-10-13/h13,19H,4-12H2,1-3H3,(H,16,18)
InChIKeyVRUUYMUMQSTRIA-UHFFFAOYSA-N
XLogP1.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4,4-difluorocyclohexane-1-carboxamide
CID 103860797
N-(2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 65109688
N-(2-cyclopropyl-2-hydroxypropyl)cyclohexanecarboxamide
CID 90499250
(2R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]piperidine-2-carboxamide
CID 106148323
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)cyclopentanecarboxamide
CID 90522931
4-cyclohexyl-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]butanamide
CID 103839791
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 103840212
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]cyclopentanecarboxamide
CID 95984261
N-(2-cyclopropyl-2-hydroxypropyl)cyclobutanecarboxamide
CID 90499246
3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173795
N-(3-amino-2,2-dimethylpropyl)cyclohexanecarboxamide
CID 115365726
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 106148501

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide (CID 103840050) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide is CN(C)CC(C)(O)CNC(=O)C1CCCCCCC1.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide?
The InChIKey is VRUUYMUMQSTRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-15(19,12-17(2)3)11-16-14(18)13-9-7-5-4-6-8-10-13/h13,19H,4-12H2,1-3H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide has a molecular weight of 270.42 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]cyclooctanecarboxamide is sourced from PubChem (CID 103840050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).