cyclohexane;ethane;N-[2-[ethyl(1-oxobutan-2-yl)amino]-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide;methanol;methoxymethane

C27H50N2O6 — CID 142090760

IUPACcyclohexane;ethane;N-[2-[ethyl(1-oxobutan-2-yl)amino]-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide;methanol;methoxymethane
SMILESC1CCCCC1.CC.CCC(C=O)N(CC)C(=O)CNC(=O)Cc1cccc(O)c1.CO.COC
InChIInChI=1S/C16H22N2O4.C6H12.C2H6O.C2H6.CH4O/c1-3-13(11-19)18(4-2)16(22)10-17-15(21)9-12-6-5-7-14(20)8-12;1-2-4-6-5-3-1;1-3-2;2*1-2/h5-8,11,13,20H,3-4,9-10H2,1-2H3,(H,17,21);1-6H2;1-2H3;1-2H3;2H,1H3
InChIKeyUMJLRUUYUDKIFQ-UHFFFAOYSA-N
MW498.71 g/mol
LogP4.11
Rot. Bonds8

About cyclohexane;ethane;N-[2-[ethyl(1-oxobutan-2-yl)amino]-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide;methanol;methoxymethane

cyclohexane;ethane;N-[2-[ethyl(1-oxobutan-2-yl)amino]-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide;methanol;methoxymethane (PubChem CID 142090760) has the molecular formula C27H50N2O6 and a molecular weight of 498.71 g/mol. Its IUPAC name is cyclohexane;ethane;N-[2-[ethyl(1-oxobutan-2-yl)amino]-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide;methanol;methoxymethane.

Molecular Properties

Compound Namecyclohexane;ethane;N-[2-[ethyl(1-oxobutan-2-yl)amino]-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide;methanol;methoxymethane
PubChem CID142090760
Molecular FormulaC27H50N2O6
Molecular Weight498.71 g/mol
Exact Mass498.37
IUPAC Namecyclohexane;ethane;N-[2-[ethyl(1-oxobutan-2-yl)amino]-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide;methanol;methoxymethane
SMILESC1CCCCC1.CC.CCC(C=O)N(CC)C(=O)CNC(=O)Cc1cccc(O)c1.CO.COC
InChIInChI=1S/C16H22N2O4.C6H12.C2H6O.C2H6.CH4O/c1-3-13(11-19)18(4-2)16(22)10-17-15(21)9-12-6-5-7-14(20)8-12;1-2-4-6-5-3-1;1-3-2;2*1-2/h5-8,11,13,20H,3-4,9-10H2,1-2H3,(H,17,21);1-6H2;1-2H3;1-2H3;2H,1H3
InChIKeyUMJLRUUYUDKIFQ-UHFFFAOYSA-N
XLogP4.11
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.71
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze cyclohexane;ethane;N-[2-[ethyl(1-oxobutan-2-yl)amino]-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide;methanol;methoxymethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide
CID 61399713
N-ethoxy-2-(3-hydroxyphenyl)acetamide
CID 62039263
2-(3-hydroxyphenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]acetamide
CID 103801681
N-ethyl-2-(3-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 61399862
N-(2-aminopropyl)-2-(3-hydroxyphenyl)acetamide
CID 63731250
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
N-(1-ethoxy-3-methylbutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 103280835
3-(3-hydroxyphenyl)-2-methoxypropanal
CID 105438620
cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate
CID 144688794
N-(2-cyclopropylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 115603624
N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide
CID 114305087

Frequently Asked Questions

What is the IUPAC name of cyclohexane;ethane;N-[2-[ethyl(1-oxobutan-2-yl)amino]-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide;methanol;methoxymethane?
The IUPAC name of cyclohexane;ethane;N-[2-[ethyl(1-oxobutan-2-yl)amino]-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide;methanol;methoxymethane (CID 142090760) is cyclohexane;ethane;N-[2-[ethyl(1-oxobutan-2-yl)amino]-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide;methanol;methoxymethane.
What is the SMILES notation for cyclohexane;ethane;N-[2-[ethyl(1-oxobutan-2-yl)amino]-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide;methanol;methoxymethane?
The canonical SMILES for cyclohexane;ethane;N-[2-[ethyl(1-oxobutan-2-yl)amino]-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide;methanol;methoxymethane is C1CCCCC1.CC.CCC(C=O)N(CC)C(=O)CNC(=O)Cc1cccc(O)c1.CO.COC.
What is the InChIKey of cyclohexane;ethane;N-[2-[ethyl(1-oxobutan-2-yl)amino]-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide;methanol;methoxymethane?
The InChIKey is UMJLRUUYUDKIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4.C6H12.C2H6O.C2H6.CH4O/c1-3-13(11-19)18(4-2)16(22)10-17-15(21)9-12-6-5-7-14(20)8-12;1-2-4-6-5-3-1;1-3-2;2*1-2/h5-8,11,13,20H,3-4,9-10H2,1-2H3,(H,17,21);1-6H2;1-2H3;1-2H3;2H,1H3.
What are the key properties of cyclohexane;ethane;N-[2-[ethyl(1-oxobutan-2-yl)amino]-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide;methanol;methoxymethane?
cyclohexane;ethane;N-[2-[ethyl(1-oxobutan-2-yl)amino]-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide;methanol;methoxymethane has a molecular weight of 498.71 g/mol, XLogP of 4.11, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;ethane;N-[2-[ethyl(1-oxobutan-2-yl)amino]-2-oxoethyl]-2-(3-hydroxyphenyl)acetamide;methanol;methoxymethane is sourced from PubChem (CID 142090760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).