2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide

C24H33NO6 — CID 23147428

IUPAC2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide
SMILESCCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCCOCC(=O)NC
InChIInChI=1S/C24H33NO6/c1-5-19-20(12-9-13-29-15-23(26)25-2)24(18-10-7-6-8-11-18)22(31-17-28-4)14-21(19)30-16-27-3/h6-8,10-11,14H,5,9,12-13,15-17H2,1-4H3,(H,25,26)
InChIKeyHOBITDUBNLCUDJ-UHFFFAOYSA-N
MW431.53 g/mol
LogP3.58
Rot. Bonds14

About 2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide

2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide (PubChem CID 23147428) has the molecular formula C24H33NO6 and a molecular weight of 431.53 g/mol. Its IUPAC name is 2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide
PubChem CID23147428
Molecular FormulaC24H33NO6
Molecular Weight431.53 g/mol
Exact Mass431.23
IUPAC Name2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide
SMILESCCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCCOCC(=O)NC
InChIInChI=1S/C24H33NO6/c1-5-19-20(12-9-13-29-15-23(26)25-2)24(18-10-7-6-8-11-18)22(31-17-28-4)14-21(19)30-16-27-3/h6-8,10-11,14H,5,9,12-13,15-17H2,1-4H3,(H,25,26)
InChIKeyHOBITDUBNLCUDJ-UHFFFAOYSA-N
XLogP3.58
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]acetic acid
CID 23146920
3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol
CID 23147311
2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]acetamide
CID 23147052
methyl 5-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethyl]-1,3-oxazole-4-carboxylate
CID 23147507
2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane
CID 23147278
2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N-(2-methoxyethyl)acetamide
CID 23147478
4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol
CID 23147308
N-methyl-2-[3-(4-methylphenyl)propoxy]acetamide
CID 134579946
2-[2-[2-(3,4-dimethoxyphenyl)-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethanol
CID 23147397
3-ethyl-2-[3-(2-methoxyethoxymethoxy)propyl]-4,5-diphenyl-1H-pyrrole
CID 102404915
2-[2-(3-methoxypropoxy)ethoxy]-N-methylacetamide
CID 134579961
2-[2-bromo-3,5-bis(methoxymethoxy)-6-phenylphenyl]-N,N-dimethylethanamine
CID 23146939

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide?
The IUPAC name of 2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide (CID 23147428) is 2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide.
What is the SMILES notation for 2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide?
The canonical SMILES for 2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide is CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCCOCC(=O)NC.
What is the InChIKey of 2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide?
The InChIKey is HOBITDUBNLCUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO6/c1-5-19-20(12-9-13-29-15-23(26)25-2)24(18-10-7-6-8-11-18)22(31-17-28-4)14-21(19)30-16-27-3/h6-8,10-11,14H,5,9,12-13,15-17H2,1-4H3,(H,25,26).
What are the key properties of 2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide?
2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide has a molecular weight of 431.53 g/mol, XLogP of 3.58, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide is sourced from PubChem (CID 23147428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).