N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide

C16H29NO2 — CID 142437298

IUPACN-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide
SMILESCCC[C@@H]1C[C@H](NC(C)=O)CC(C2CCCCC2)O1
InChIInChI=1S/C16H29NO2/c1-3-7-15-10-14(17-12(2)18)11-16(19-15)13-8-5-4-6-9-13/h13-16H,3-11H2,1-2H3,(H,17,18)/t14-,15+,16?/m0/s1
InChIKeyJZMCQTWFVOHEET-QMRHZFGWSA-N
MW267.41 g/mol
LogP3.42
Rot. Bonds4

About N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide

N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide (PubChem CID 142437298) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide
PubChem CID142437298
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide
SMILESCCC[C@@H]1C[C@H](NC(C)=O)CC(C2CCCCC2)O1
InChIInChI=1S/C16H29NO2/c1-3-7-15-10-14(17-12(2)18)11-16(19-15)13-8-5-4-6-9-13/h13-16H,3-11H2,1-2H3,(H,17,18)/t14-,15+,16?/m0/s1
InChIKeyJZMCQTWFVOHEET-QMRHZFGWSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethoxyspiro[3.5]nonan-1-yl)oxane-4-carboxamide
CID 71873170
N-[1-(3-methylcyclohexyl)ethyl]-3-(oxan-4-yloxy)propanamide
CID 75425155
N-[(2S,4R,6S)-2-cyclohexyl-6-propyloxan-4-yl]acetamide
CID 164631026
N-[(2R*,4S*,6R*)-2-cyclohexyl-6-propyltetrahydro-2H-pyran-4-yl]acetamide
CID 50980440
[(1R)-2-[(2S,6S)-4-acetamido-6-propyloxan-2-yl]-1-cyclohexylethyl] acetate
CID 154716137
[(1R)-2-[(2S,6R)-4-acetamido-6-tert-butyloxan-2-yl]-1-cyclohexylethyl] acetate
CID 154716240
N-[(2R*,4R*,6S*)-2-tert-butyl-6-(1,4-dimethylpiperidin-4-yl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50951237
(4S,6S)-4-cyclohexyl-6-(2-methylpropyl)-1,3-oxazinan-2-one
CID 101155621
CID 57880741
CID 57880741
N-[(3S,4R,5R)-1-[(5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide
CID 58962261
N-[(3S,4R,5R)-1-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]-4,5-dimethylheptan-3-yl]propanamide
CID 59422787
N-[4,6,6-trimethyl-2-[(2R,3R)-3-methylpentan-2-yl]oxan-3-yl]acetamide
CID 59967442

Frequently Asked Questions

What is the IUPAC name of N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide?
The IUPAC name of N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide (CID 142437298) is N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide.
What is the SMILES notation for N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide?
The canonical SMILES for N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide is CCC[C@@H]1C[C@H](NC(C)=O)CC(C2CCCCC2)O1.
What is the InChIKey of N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide?
The InChIKey is JZMCQTWFVOHEET-QMRHZFGWSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-7-15-10-14(17-12(2)18)11-16(19-15)13-8-5-4-6-9-13/h13-16H,3-11H2,1-2H3,(H,17,18)/t14-,15+,16?/m0/s1.
What are the key properties of N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide?
N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide has a molecular weight of 267.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide is sourced from PubChem (CID 142437298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).