3-[2-(3-carbamimidoylphenyl)ethoxy]-N-cyclohexyl-N-(2-methoxyethyl)propanamide;methoxymethane

C23H39N3O4 — CID 143914574

IUPAC3-[2-(3-carbamimidoylphenyl)ethoxy]-N-cyclohexyl-N-(2-methoxyethyl)propanamide;methoxymethane
SMILESCOC.[H]/N=C(\N)c1cccc(CCOCCC(=O)N(CCOC)C2CCCCC2)c1
InChIInChI=1S/C21H33N3O3.C2H6O/c1-26-15-12-24(19-8-3-2-4-9-19)20(25)11-14-27-13-10-17-6-5-7-18(16-17)21(22)23;1-3-2/h5-7,16,19H,2-4,8-15H2,1H3,(H3,22,23);1-2H3
InChIKeyFAOBRXJOKQKONB-UHFFFAOYSA-N
MW421.58 g/mol
LogP2.99
Rot. Bonds11

About 3-[2-(3-carbamimidoylphenyl)ethoxy]-N-cyclohexyl-N-(2-methoxyethyl)propanamide;methoxymethane

3-[2-(3-carbamimidoylphenyl)ethoxy]-N-cyclohexyl-N-(2-methoxyethyl)propanamide;methoxymethane (PubChem CID 143914574) has the molecular formula C23H39N3O4 and a molecular weight of 421.58 g/mol. Its IUPAC name is 3-[2-(3-carbamimidoylphenyl)ethoxy]-N-cyclohexyl-N-(2-methoxyethyl)propanamide;methoxymethane.

Molecular Properties

Compound Name3-[2-(3-carbamimidoylphenyl)ethoxy]-N-cyclohexyl-N-(2-methoxyethyl)propanamide;methoxymethane
PubChem CID143914574
Molecular FormulaC23H39N3O4
Molecular Weight421.58 g/mol
Exact Mass421.29
IUPAC Name3-[2-(3-carbamimidoylphenyl)ethoxy]-N-cyclohexyl-N-(2-methoxyethyl)propanamide;methoxymethane
SMILESCOC.[H]/N=C(\N)c1cccc(CCOCCC(=O)N(CCOC)C2CCCCC2)c1
InChIInChI=1S/C21H33N3O3.C2H6O/c1-26-15-12-24(19-8-3-2-4-9-19)20(25)11-14-27-13-10-17-6-5-7-18(16-17)21(22)23;1-3-2/h5-7,16,19H,2-4,8-15H2,1H3,(H3,22,23);1-2H3
InChIKeyFAOBRXJOKQKONB-UHFFFAOYSA-N
XLogP2.99
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.58
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-carbamimidoylphenyl)ethoxy]-N-cyclohexyl-N-(2-methoxyethyl)propanamide;methoxymethane?
The IUPAC name of 3-[2-(3-carbamimidoylphenyl)ethoxy]-N-cyclohexyl-N-(2-methoxyethyl)propanamide;methoxymethane (CID 143914574) is 3-[2-(3-carbamimidoylphenyl)ethoxy]-N-cyclohexyl-N-(2-methoxyethyl)propanamide;methoxymethane.
What is the SMILES notation for 3-[2-(3-carbamimidoylphenyl)ethoxy]-N-cyclohexyl-N-(2-methoxyethyl)propanamide;methoxymethane?
The canonical SMILES for 3-[2-(3-carbamimidoylphenyl)ethoxy]-N-cyclohexyl-N-(2-methoxyethyl)propanamide;methoxymethane is COC.[H]/N=C(\N)c1cccc(CCOCCC(=O)N(CCOC)C2CCCCC2)c1.
What is the InChIKey of 3-[2-(3-carbamimidoylphenyl)ethoxy]-N-cyclohexyl-N-(2-methoxyethyl)propanamide;methoxymethane?
The InChIKey is FAOBRXJOKQKONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3.C2H6O/c1-26-15-12-24(19-8-3-2-4-9-19)20(25)11-14-27-13-10-17-6-5-7-18(16-17)21(22)23;1-3-2/h5-7,16,19H,2-4,8-15H2,1H3,(H3,22,23);1-2H3.
What are the key properties of 3-[2-(3-carbamimidoylphenyl)ethoxy]-N-cyclohexyl-N-(2-methoxyethyl)propanamide;methoxymethane?
3-[2-(3-carbamimidoylphenyl)ethoxy]-N-cyclohexyl-N-(2-methoxyethyl)propanamide;methoxymethane has a molecular weight of 421.58 g/mol, XLogP of 2.99, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-carbamimidoylphenyl)ethoxy]-N-cyclohexyl-N-(2-methoxyethyl)propanamide;methoxymethane is sourced from PubChem (CID 143914574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).