N-[(2R,6R)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide

C15H27NO2 — CID 129429475

IUPACN-[(2R,6R)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide
SMILESC[C@@H]1CCC[C@@H](C)C1NC(=O)C[C@H]1CCCOC1
InChIInChI=1S/C15H27NO2/c1-11-5-3-6-12(2)15(11)16-14(17)9-13-7-4-8-18-10-13/h11-13,15H,3-10H2,1-2H3,(H,16,17)/t11-,12-,13-/m1/s1
InChIKeyDBMXOJNSLUFWOD-JHJVBQTASA-N
MW253.39 g/mol
LogP2.74
Rot. Bonds3

About N-[(2R,6R)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide

N-[(2R,6R)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide (PubChem CID 129429475) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(2R,6R)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,6R)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide
PubChem CID129429475
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[(2R,6R)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide
SMILESC[C@@H]1CCC[C@@H](C)C1NC(=O)C[C@H]1CCCOC1
InChIInChI=1S/C15H27NO2/c1-11-5-3-6-12(2)15(11)16-14(17)9-13-7-4-8-18-10-13/h11-13,15H,3-10H2,1-2H3,(H,16,17)/t11-,12-,13-/m1/s1
InChIKeyDBMXOJNSLUFWOD-JHJVBQTASA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R,6S)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide
CID 129429474
1-(oxan-3-yl)butan-2-one
CID 103847209
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
1-cyclopentyl-2-(oxan-3-yl)ethanone
CID 107135385
N-(oxan-3-yl)-2-piperidin-3-ylacetamide
CID 63361348
N-methyl-4-(oxan-3-ylmethylamino)butanamide
CID 63890126
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide
CID 110865266
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 110862281
2-(3-aminocyclohexyl)-N-(oxolan-3-yl)acetamide
CID 80715851
3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea
CID 115618287
2-(diethylamino)-N-[(2S,6S)-2,6-dimethylcyclohexyl]acetamide
CID 131855382

Frequently Asked Questions

What is the IUPAC name of N-[(2R,6R)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide?
The IUPAC name of N-[(2R,6R)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide (CID 129429475) is N-[(2R,6R)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,6R)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,6R)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide is C[C@@H]1CCC[C@@H](C)C1NC(=O)C[C@H]1CCCOC1.
What is the InChIKey of N-[(2R,6R)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide?
The InChIKey is DBMXOJNSLUFWOD-JHJVBQTASA-N. The full InChI is InChI=1S/C15H27NO2/c1-11-5-3-6-12(2)15(11)16-14(17)9-13-7-4-8-18-10-13/h11-13,15H,3-10H2,1-2H3,(H,16,17)/t11-,12-,13-/m1/s1.
What are the key properties of N-[(2R,6R)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide?
N-[(2R,6R)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide has a molecular weight of 253.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,6R)-2,6-dimethylcyclohexyl]-2-[(3R)-oxan-3-yl]acetamide is sourced from PubChem (CID 129429475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).