4-cyclohexyloxy-N-[2-(4-methyl-3-oxopentoxy)ethyl]butanamide;ethane;molecular hydrogen;propan-1-ol

C23H49NO5 — CID 169159571

IUPAC4-cyclohexyloxy-N-[2-(4-methyl-3-oxopentoxy)ethyl]butanamide;ethane;molecular hydrogen;propan-1-ol
SMILESCC.CC(C)C(=O)CCOCCNC(=O)CCCOC1CCCCC1.CCCO.[H][H]
InChIInChI=1S/C18H33NO4.C3H8O.C2H6.H2/c1-15(2)17(20)10-13-22-14-11-19-18(21)9-6-12-23-16-7-4-3-5-8-16;1-2-3-4;1-2;/h15-16H,3-14H2,1-2H3,(H,19,21);4H,2-3H2,1H3;1-2H3;1H
InChIKeyZTHZGNLSKXGCJC-UHFFFAOYSA-N
MW419.65 g/mol
LogP4.52
Rot. Bonds13

About 4-cyclohexyloxy-N-[2-(4-methyl-3-oxopentoxy)ethyl]butanamide;ethane;molecular hydrogen;propan-1-ol

4-cyclohexyloxy-N-[2-(4-methyl-3-oxopentoxy)ethyl]butanamide;ethane;molecular hydrogen;propan-1-ol (PubChem CID 169159571) has the molecular formula C23H49NO5 and a molecular weight of 419.65 g/mol. Its IUPAC name is 4-cyclohexyloxy-N-[2-(4-methyl-3-oxopentoxy)ethyl]butanamide;ethane;molecular hydrogen;propan-1-ol.

Molecular Properties

Compound Name4-cyclohexyloxy-N-[2-(4-methyl-3-oxopentoxy)ethyl]butanamide;ethane;molecular hydrogen;propan-1-ol
PubChem CID169159571
Molecular FormulaC23H49NO5
Molecular Weight419.65 g/mol
Exact Mass419.36
IUPAC Name4-cyclohexyloxy-N-[2-(4-methyl-3-oxopentoxy)ethyl]butanamide;ethane;molecular hydrogen;propan-1-ol
SMILESCC.CC(C)C(=O)CCOCCNC(=O)CCCOC1CCCCC1.CCCO.[H][H]
InChIInChI=1S/C18H33NO4.C3H8O.C2H6.H2/c1-15(2)17(20)10-13-22-14-11-19-18(21)9-6-12-23-16-7-4-3-5-8-16;1-2-3-4;1-2;/h15-16H,3-14H2,1-2H3,(H,19,21);4H,2-3H2,1H3;1-2H3;1H
InChIKeyZTHZGNLSKXGCJC-UHFFFAOYSA-N
XLogP4.52
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.65
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-cyclohexyloxy-N-[2-(4-methyl-3-oxopentoxy)ethyl]butanamide;ethane;molecular hydrogen;propan-1-ol with MolForge

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Related Compounds

6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 168756309
ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide
CID 160711041
1-cyclohexyl-2-methylpropan-1-one;4-cyclohexyloxybutanamide;ethanol;molecular hydrogen
CID 167464133
3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 138721605
5-methyl-N-[2-(3-methyl-2-oxobutoxy)ethyl]hexanamide
CID 170583801
2-cyclooct-2-yn-1-yloxy-N-[2-(5-methyl-4-oxohexoxy)ethyl]acetamide
CID 134575386
4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide
CID 169317050
6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide
CID 176717444
3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium
CID 177358681
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
4-amino-N-(2-cycloheptyloxyethyl)butanamide;hydrochloride
CID 119325380
4-chloro-N-(2-cyclopentyloxyethyl)butanamide
CID 63828950

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-N-[2-(4-methyl-3-oxopentoxy)ethyl]butanamide;ethane;molecular hydrogen;propan-1-ol?
The IUPAC name of 4-cyclohexyloxy-N-[2-(4-methyl-3-oxopentoxy)ethyl]butanamide;ethane;molecular hydrogen;propan-1-ol (CID 169159571) is 4-cyclohexyloxy-N-[2-(4-methyl-3-oxopentoxy)ethyl]butanamide;ethane;molecular hydrogen;propan-1-ol.
What is the SMILES notation for 4-cyclohexyloxy-N-[2-(4-methyl-3-oxopentoxy)ethyl]butanamide;ethane;molecular hydrogen;propan-1-ol?
The canonical SMILES for 4-cyclohexyloxy-N-[2-(4-methyl-3-oxopentoxy)ethyl]butanamide;ethane;molecular hydrogen;propan-1-ol is CC.CC(C)C(=O)CCOCCNC(=O)CCCOC1CCCCC1.CCCO.[H][H].
What is the InChIKey of 4-cyclohexyloxy-N-[2-(4-methyl-3-oxopentoxy)ethyl]butanamide;ethane;molecular hydrogen;propan-1-ol?
The InChIKey is ZTHZGNLSKXGCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO4.C3H8O.C2H6.H2/c1-15(2)17(20)10-13-22-14-11-19-18(21)9-6-12-23-16-7-4-3-5-8-16;1-2-3-4;1-2;/h15-16H,3-14H2,1-2H3,(H,19,21);4H,2-3H2,1H3;1-2H3;1H.
What are the key properties of 4-cyclohexyloxy-N-[2-(4-methyl-3-oxopentoxy)ethyl]butanamide;ethane;molecular hydrogen;propan-1-ol?
4-cyclohexyloxy-N-[2-(4-methyl-3-oxopentoxy)ethyl]butanamide;ethane;molecular hydrogen;propan-1-ol has a molecular weight of 419.65 g/mol, XLogP of 4.52, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-N-[2-(4-methyl-3-oxopentoxy)ethyl]butanamide;ethane;molecular hydrogen;propan-1-ol is sourced from PubChem (CID 169159571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).