N-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide

C18H28N2O3 — CID 22447984

IUPACN-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide
SMILESCOC(CNCC(=O)Nc1ccc(C2CCCCC2)cc1)OC
InChIInChI=1S/C18H28N2O3/c1-22-18(23-2)13-19-12-17(21)20-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,14,18-19H,3-7,12-13H2,1-2H3,(H,20,21)
InChIKeyLREKVIGPZXTMFX-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.88
Rot. Bonds8

About N-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide

N-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide (PubChem CID 22447984) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide
PubChem CID22447984
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide
SMILESCOC(CNCC(=O)Nc1ccc(C2CCCCC2)cc1)OC
InChIInChI=1S/C18H28N2O3/c1-22-18(23-2)13-19-12-17(21)20-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,14,18-19H,3-7,12-13H2,1-2H3,(H,20,21)
InChIKeyLREKVIGPZXTMFX-UHFFFAOYSA-N
XLogP2.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide
CID 22448148
N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 22448118
methyl 4-[(4-cyclohexylphenyl)methylamino]benzoate
CID 67485130
methyl 4-[3-(4-cyclohexylphenyl)-3-oxopropanoyl]benzoate
CID 67375575
N-(4-cyclohexylphenyl)-2-morpholin-4-ylacetamide
CID 651814
N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 22448041
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
(4-cyclopentylphenyl)urea
CID 130193151
1-(1-chloropropan-2-yl)-3-(4-cyclohexylphenyl)urea
CID 20617044
4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 17172239
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-cyclohexylbenzoate
CID 8538390
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide?
The IUPAC name of N-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide (CID 22447984) is N-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide is COC(CNCC(=O)Nc1ccc(C2CCCCC2)cc1)OC.
What is the InChIKey of N-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide?
The InChIKey is LREKVIGPZXTMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-22-18(23-2)13-19-12-17(21)20-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,14,18-19H,3-7,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide?
N-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide has a molecular weight of 320.43 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide is sourced from PubChem (CID 22447984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).