ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide

C19H36N2O5 — CID 169159604

IUPACethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide
SMILESCC.CCC(=O)CNC(=O)C1CCC(NC(=O)CCOCCOC)CC1
InChIInChI=1S/C17H30N2O5.C2H6/c1-3-15(20)12-18-17(22)13-4-6-14(7-5-13)19-16(21)8-9-24-11-10-23-2;1-2/h13-14H,3-12H2,1-2H3,(H,18,22)(H,19,21);1-2H3
InChIKeyOPHCXJQYRFYSBY-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.84
Rot. Bonds11

About ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide

ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide (PubChem CID 169159604) has the molecular formula C19H36N2O5 and a molecular weight of 372.51 g/mol. Its IUPAC name is ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nameethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide
PubChem CID169159604
Molecular FormulaC19H36N2O5
Molecular Weight372.51 g/mol
Exact Mass372.26
IUPAC Nameethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide
SMILESCC.CCC(=O)CNC(=O)C1CCC(NC(=O)CCOCCOC)CC1
InChIInChI=1S/C17H30N2O5.C2H6/c1-3-15(20)12-18-17(22)13-4-6-14(7-5-13)19-16(21)8-9-24-11-10-23-2;1-2/h13-14H,3-12H2,1-2H3,(H,18,22)(H,19,21);1-2H3
InChIKeyOPHCXJQYRFYSBY-UHFFFAOYSA-N
XLogP1.84
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 177357306
4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide
CID 169158474
N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 60668703
molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide
CID 169159539
N-cycloheptyl-3-methoxypropanamide
CID 110839127
N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 169158949
ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 177357226
N-[4-[[3-[2-(3-oxopentoxy)ethoxy]propanoylamino]methyl]cyclohexyl]hexadecanamide
CID 170630579
N-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687120
cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 106321388
3-[2-[(2-methoxyacetyl)amino]ethoxy]-N-[4-(2-methylpropanoyl)cyclohexyl]propanamide
CID 178082713
2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 169158396

Frequently Asked Questions

What is the IUPAC name of ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide?
The IUPAC name of ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide (CID 169159604) is ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide?
The canonical SMILES for ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide is CC.CCC(=O)CNC(=O)C1CCC(NC(=O)CCOCCOC)CC1.
What is the InChIKey of ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide?
The InChIKey is OPHCXJQYRFYSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O5.C2H6/c1-3-15(20)12-18-17(22)13-4-6-14(7-5-13)19-16(21)8-9-24-11-10-23-2;1-2/h13-14H,3-12H2,1-2H3,(H,18,22)(H,19,21);1-2H3.
What are the key properties of ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide?
ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 1.84, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 169159604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).