3-[[4-(methoxymethyl)cyclohexyl]methoxy]-N-(3-propanoylcyclobutyl)propanamide;molecular hydrogen

C19H35NO4 — CID 169158765

IUPAC3-[[4-(methoxymethyl)cyclohexyl]methoxy]-N-(3-propanoylcyclobutyl)propanamide;molecular hydrogen
SMILESCCC(=O)C1CC(NC(=O)CCOCC2CCC(COC)CC2)C1.[H][H]
InChIInChI=1S/C19H33NO4.H2/c1-3-18(21)16-10-17(11-16)20-19(22)8-9-24-13-15-6-4-14(5-7-15)12-23-2;/h14-17H,3-13H2,1-2H3,(H,20,22);1H
InChIKeyRXEFSEGFPAWKPJ-UHFFFAOYSA-N
MW341.49 g/mol
LogP2.97
Rot. Bonds10

About 3-[[4-(methoxymethyl)cyclohexyl]methoxy]-N-(3-propanoylcyclobutyl)propanamide;molecular hydrogen

3-[[4-(methoxymethyl)cyclohexyl]methoxy]-N-(3-propanoylcyclobutyl)propanamide;molecular hydrogen (PubChem CID 169158765) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is 3-[[4-(methoxymethyl)cyclohexyl]methoxy]-N-(3-propanoylcyclobutyl)propanamide;molecular hydrogen.

Molecular Properties

Compound Name3-[[4-(methoxymethyl)cyclohexyl]methoxy]-N-(3-propanoylcyclobutyl)propanamide;molecular hydrogen
PubChem CID169158765
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Name3-[[4-(methoxymethyl)cyclohexyl]methoxy]-N-(3-propanoylcyclobutyl)propanamide;molecular hydrogen
SMILESCCC(=O)C1CC(NC(=O)CCOCC2CCC(COC)CC2)C1.[H][H]
InChIInChI=1S/C19H33NO4.H2/c1-3-18(21)16-10-17(11-16)20-19(22)8-9-24-13-15-6-4-14(5-7-15)12-23-2;/h14-17H,3-13H2,1-2H3,(H,20,22);1H
InChIKeyRXEFSEGFPAWKPJ-UHFFFAOYSA-N
XLogP2.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(ethoxymethyl)cyclohexyl]methoxy]-N-(3-prop-2-enoylcyclobutyl)propanamide
CID 167464128
3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide
CID 169159546
N-(4-acetylcyclohexyl)-3-[[4-(methylsulfanyloxymethyl)cyclohexyl]methoxy]propanamide
CID 170128889
3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide
CID 169158368
molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide
CID 169159539
1-cyclohexylpropan-1-one;ethane;4-[[4-(methoxymethyl)cyclohexyl]methoxy]butanamide
CID 169159418
molecular hydrogen;N-(3-propanoylcyclobutyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide
CID 169158273
cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120675923
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxypropanamide
CID 62589135
ethane;N-[4-(2-methylpropanoyl)cyclohexyl]-4-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]butanamide;molecular hydrogen
CID 169158753
3-(cyclopropylmethoxy)propanehydrazide
CID 63574361
cis-(1R,3S)-3-(3-propoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 106321388

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methoxymethyl)cyclohexyl]methoxy]-N-(3-propanoylcyclobutyl)propanamide;molecular hydrogen?
The IUPAC name of 3-[[4-(methoxymethyl)cyclohexyl]methoxy]-N-(3-propanoylcyclobutyl)propanamide;molecular hydrogen (CID 169158765) is 3-[[4-(methoxymethyl)cyclohexyl]methoxy]-N-(3-propanoylcyclobutyl)propanamide;molecular hydrogen.
What is the SMILES notation for 3-[[4-(methoxymethyl)cyclohexyl]methoxy]-N-(3-propanoylcyclobutyl)propanamide;molecular hydrogen?
The canonical SMILES for 3-[[4-(methoxymethyl)cyclohexyl]methoxy]-N-(3-propanoylcyclobutyl)propanamide;molecular hydrogen is CCC(=O)C1CC(NC(=O)CCOCC2CCC(COC)CC2)C1.[H][H].
What is the InChIKey of 3-[[4-(methoxymethyl)cyclohexyl]methoxy]-N-(3-propanoylcyclobutyl)propanamide;molecular hydrogen?
The InChIKey is RXEFSEGFPAWKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4.H2/c1-3-18(21)16-10-17(11-16)20-19(22)8-9-24-13-15-6-4-14(5-7-15)12-23-2;/h14-17H,3-13H2,1-2H3,(H,20,22);1H.
What are the key properties of 3-[[4-(methoxymethyl)cyclohexyl]methoxy]-N-(3-propanoylcyclobutyl)propanamide;molecular hydrogen?
3-[[4-(methoxymethyl)cyclohexyl]methoxy]-N-(3-propanoylcyclobutyl)propanamide;molecular hydrogen has a molecular weight of 341.49 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methoxymethyl)cyclohexyl]methoxy]-N-(3-propanoylcyclobutyl)propanamide;molecular hydrogen is sourced from PubChem (CID 169158765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).