trans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide

C15H25NO3 — CID 99716407

IUPACtrans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide
SMILESO=C(NO[C@@H]1CCCCO1)[C@@H]1C[C@@H]1C1CCCCC1
InChIInChI=1S/C15H25NO3/c17-15(16-19-14-8-4-5-9-18-14)13-10-12(13)11-6-2-1-3-7-11/h11-14H,1-10H2,(H,16,17)/t12-,13-,14-/m1/s1
InChIKeyQYQZJRCSPCILRK-MGPQQGTHSA-N
MW267.37 g/mol
LogP2.78
Rot. Bonds4

About trans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide

trans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide (PubChem CID 99716407) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is trans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide
PubChem CID99716407
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametrans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide
SMILESO=C(NO[C@@H]1CCCCO1)[C@@H]1C[C@@H]1C1CCCCC1
InChIInChI=1S/C15H25NO3/c17-15(16-19-14-8-4-5-9-18-14)13-10-12(13)11-6-2-1-3-7-11/h11-14H,1-10H2,(H,16,17)/t12-,13-,14-/m1/s1
InChIKeyQYQZJRCSPCILRK-MGPQQGTHSA-N
XLogP2.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(oxan-2-yloxy)cyclopropanecarboxamide
CID 130685295
(2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide
CID 95972380
(2R,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxyoxolane-2-carboxamide
CID 97023842
(2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide
CID 95139145
(2R,3aS,7aS)-2-methyl-N-[(2S)-oxan-2-yl]oxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 124743441
tert-butyl N-(oxan-2-yloxy)carbamate
CID 11790630
2-cyclohexyloxy-N-(oxan-2-yloxy)propanamide
CID 91642782
1-methyl-1,3-bis(oxan-2-yloxy)urea
CID 19371750
(3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 94824519
(4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide
CID 170777342
tert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 56800960
(3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide
CID 52828959

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide (CID 99716407) is trans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide is O=C(NO[C@@H]1CCCCO1)[C@@H]1C[C@@H]1C1CCCCC1.
What is the InChIKey of trans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide?
The InChIKey is QYQZJRCSPCILRK-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H25NO3/c17-15(16-19-14-8-4-5-9-18-14)13-10-12(13)11-6-2-1-3-7-11/h11-14H,1-10H2,(H,16,17)/t12-,13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide?
trans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide is sourced from PubChem (CID 99716407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).