2-(4-cyclohexylphenyl)-2-hydroxy-N-(methoxymethoxy)butanamide

C18H27NO4 — CID 10336195

IUPAC2-(4-cyclohexylphenyl)-2-hydroxy-N-(methoxymethoxy)butanamide
SMILESCCC(O)(C(=O)NOCOC)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H27NO4/c1-3-18(21,17(20)19-23-13-22-2)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h9-12,14,21H,3-8,13H2,1-2H3,(H,19,20)
InChIKeyBQKJKYWHVYYYJN-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.98
Rot. Bonds7

About 2-(4-cyclohexylphenyl)-2-hydroxy-N-(methoxymethoxy)butanamide

2-(4-cyclohexylphenyl)-2-hydroxy-N-(methoxymethoxy)butanamide (PubChem CID 10336195) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-2-hydroxy-N-(methoxymethoxy)butanamide.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-2-hydroxy-N-(methoxymethoxy)butanamide
PubChem CID10336195
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name2-(4-cyclohexylphenyl)-2-hydroxy-N-(methoxymethoxy)butanamide
SMILESCCC(O)(C(=O)NOCOC)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H27NO4/c1-3-18(21,17(20)19-23-13-22-2)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h9-12,14,21H,3-8,13H2,1-2H3,(H,19,20)
InChIKeyBQKJKYWHVYYYJN-UHFFFAOYSA-N
XLogP2.98
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-chloro-1-(4-cyclohexylphenyl)propyl] acetate
CID 67594889
2-(4-cyclobutylphenyl)butan-2-ol
CID 116505233
ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate
CID 60547206
1-cyclohexyl-4-(methoxymethoxy)benzene
CID 143461597
3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 24843348
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
methyl 2-[(4-cyclopentylbenzoyl)amino]acetate
CID 110487395
ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate
CID 70420444
1-amino-2-(4-cyclobutylphenyl)propan-2-ol
CID 116505464
4-cyclohexyl-N'-methylbenzohydrazide
CID 116846851
methyl 4-[3-(4-cyclohexylphenyl)-3-oxopropanoyl]benzoate
CID 67375575

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-2-hydroxy-N-(methoxymethoxy)butanamide?
The IUPAC name of 2-(4-cyclohexylphenyl)-2-hydroxy-N-(methoxymethoxy)butanamide (CID 10336195) is 2-(4-cyclohexylphenyl)-2-hydroxy-N-(methoxymethoxy)butanamide.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-2-hydroxy-N-(methoxymethoxy)butanamide?
The canonical SMILES for 2-(4-cyclohexylphenyl)-2-hydroxy-N-(methoxymethoxy)butanamide is CCC(O)(C(=O)NOCOC)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-2-hydroxy-N-(methoxymethoxy)butanamide?
The InChIKey is BQKJKYWHVYYYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-3-18(21,17(20)19-23-13-22-2)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h9-12,14,21H,3-8,13H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-cyclohexylphenyl)-2-hydroxy-N-(methoxymethoxy)butanamide?
2-(4-cyclohexylphenyl)-2-hydroxy-N-(methoxymethoxy)butanamide has a molecular weight of 321.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-2-hydroxy-N-(methoxymethoxy)butanamide is sourced from PubChem (CID 10336195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).