N-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide

C18H25NO3 — CID 57287891

IUPACN-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide
SMILESO=CNC(C1CCCCC1)C(OCc1ccccc1)C1CO1
InChIInChI=1S/C18H25NO3/c20-13-19-17(15-9-5-2-6-10-15)18(16-12-21-16)22-11-14-7-3-1-4-8-14/h1,3-4,7-8,13,15-18H,2,5-6,9-12H2,(H,19,20)
InChIKeyNPASDJNWWHIYEN-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.67
Rot. Bonds8

About N-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide

N-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide (PubChem CID 57287891) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide
PubChem CID57287891
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide
SMILESO=CNC(C1CCCCC1)C(OCc1ccccc1)C1CO1
InChIInChI=1S/C18H25NO3/c20-13-19-17(15-9-5-2-6-10-15)18(16-12-21-16)22-11-14-7-3-1-4-8-14/h1,3-4,7-8,13,15-18H,2,5-6,9-12H2,(H,19,20)
InChIKeyNPASDJNWWHIYEN-UHFFFAOYSA-N
XLogP2.67
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane
CID 11313389
2-cyclohexyl-2-phenylmethoxyacetaldehyde
CID 10922402
cyclohexyl(phenylmethoxy)methanol
CID 54334195
1-cyclohexylprop-2-enoxymethylbenzene
CID 14952087
(3S,4R,5S)-5-[(2S)-oxiran-2-yl]-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-one
CID 102478567
2-[(1R)-1-phenylmethoxyethyl]oxirane
CID 88860566
(4R)-2,2-dimethyl-4-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]-1,3-dioxolane
CID 102375766
2-(2-bromo-1-phenylmethoxyethyl)oxirane
CID 562170
(2S,3R,4R)-4-[(2S)-oxiran-2-yl]-2,3,4-tris(phenylmethoxy)-N-tritylbutan-1-amine
CID 11767578
(3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile
CID 102256914
3-formamido-3-phenylmethoxypropanoic acid
CID 87105674
2-methyl-N-[3-[[(2R)-oxiran-2-yl]-phenylmethoxymethyl]cyclobutyl]propane-2-sulfonamide
CID 170429120

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide?
The IUPAC name of N-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide (CID 57287891) is N-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide.
What is the SMILES notation for N-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide?
The canonical SMILES for N-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide is O=CNC(C1CCCCC1)C(OCc1ccccc1)C1CO1.
What is the InChIKey of N-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide?
The InChIKey is NPASDJNWWHIYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-13-19-17(15-9-5-2-6-10-15)18(16-12-21-16)22-11-14-7-3-1-4-8-14/h1,3-4,7-8,13,15-18H,2,5-6,9-12H2,(H,19,20).
What are the key properties of N-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide?
N-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide has a molecular weight of 303.40 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide is sourced from PubChem (CID 57287891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).