3-[[4-(ethoxymethyl)cyclohexyl]methoxy]-N-(3-prop-2-enoylcyclobutyl)propanamide

C20H33NO4 — CID 167464128

IUPAC3-[[4-(ethoxymethyl)cyclohexyl]methoxy]-N-(3-prop-2-enoylcyclobutyl)propanamide
SMILESC=CC(=O)C1CC(NC(=O)CCOCC2CCC(COCC)CC2)C1
InChIInChI=1S/C20H33NO4/c1-3-19(22)17-11-18(12-17)21-20(23)9-10-25-14-16-7-5-15(6-8-16)13-24-4-2/h3,15-18H,1,4-14H2,2H3,(H,21,23)
InChIKeyRTEIDYGRDMXIEJ-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.89
Rot. Bonds11

About 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]-N-(3-prop-2-enoylcyclobutyl)propanamide

3-[[4-(ethoxymethyl)cyclohexyl]methoxy]-N-(3-prop-2-enoylcyclobutyl)propanamide (PubChem CID 167464128) has the molecular formula C20H33NO4 and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]-N-(3-prop-2-enoylcyclobutyl)propanamide.

Molecular Properties

Compound Name3-[[4-(ethoxymethyl)cyclohexyl]methoxy]-N-(3-prop-2-enoylcyclobutyl)propanamide
PubChem CID167464128
Molecular FormulaC20H33NO4
Molecular Weight351.49 g/mol
Exact Mass351.24
IUPAC Name3-[[4-(ethoxymethyl)cyclohexyl]methoxy]-N-(3-prop-2-enoylcyclobutyl)propanamide
SMILESC=CC(=O)C1CC(NC(=O)CCOCC2CCC(COCC)CC2)C1
InChIInChI=1S/C20H33NO4/c1-3-19(22)17-11-18(12-17)21-20(23)9-10-25-14-16-7-5-15(6-8-16)13-24-4-2/h3,15-18H,1,4-14H2,2H3,(H,21,23)
InChIKeyRTEIDYGRDMXIEJ-UHFFFAOYSA-N
XLogP2.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]-N-(3-prop-2-enoylcyclobutyl)propanamide?
The IUPAC name of 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]-N-(3-prop-2-enoylcyclobutyl)propanamide (CID 167464128) is 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]-N-(3-prop-2-enoylcyclobutyl)propanamide.
What is the SMILES notation for 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]-N-(3-prop-2-enoylcyclobutyl)propanamide?
The canonical SMILES for 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]-N-(3-prop-2-enoylcyclobutyl)propanamide is C=CC(=O)C1CC(NC(=O)CCOCC2CCC(COCC)CC2)C1.
What is the InChIKey of 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]-N-(3-prop-2-enoylcyclobutyl)propanamide?
The InChIKey is RTEIDYGRDMXIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4/c1-3-19(22)17-11-18(12-17)21-20(23)9-10-25-14-16-7-5-15(6-8-16)13-24-4-2/h3,15-18H,1,4-14H2,2H3,(H,21,23).
What are the key properties of 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]-N-(3-prop-2-enoylcyclobutyl)propanamide?
3-[[4-(ethoxymethyl)cyclohexyl]methoxy]-N-(3-prop-2-enoylcyclobutyl)propanamide has a molecular weight of 351.49 g/mol, XLogP of 2.89, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethoxymethyl)cyclohexyl]methoxy]-N-(3-prop-2-enoylcyclobutyl)propanamide is sourced from PubChem (CID 167464128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).