N-methyl-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxymethoxy]propanamide

C18H29NO6 — CID 138657094

IUPACN-methyl-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxymethoxy]propanamide
SMILESCNC(=O)CCOCOCCOCCOCCOc1ccc(C)cc1
InChIInChI=1S/C18H29NO6/c1-16-3-5-17(6-4-16)25-14-13-22-10-9-21-11-12-24-15-23-8-7-18(20)19-2/h3-6H,7-15H2,1-2H3,(H,19,20)
InChIKeyVZMXQXMCDATJAS-UHFFFAOYSA-N
MW355.43 g/mol
LogP1.53
Rot. Bonds15

About N-methyl-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxymethoxy]propanamide

N-methyl-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxymethoxy]propanamide (PubChem CID 138657094) has the molecular formula C18H29NO6 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-methyl-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxymethoxy]propanamide.

Molecular Properties

Compound NameN-methyl-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxymethoxy]propanamide
PubChem CID138657094
Molecular FormulaC18H29NO6
Molecular Weight355.43 g/mol
Exact Mass355.20
IUPAC NameN-methyl-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxymethoxy]propanamide
SMILESCNC(=O)CCOCOCCOCCOCCOc1ccc(C)cc1
InChIInChI=1S/C18H29NO6/c1-16-3-5-17(6-4-16)25-14-13-22-10-9-21-11-12-24-15-23-8-7-18(20)19-2/h3-6H,7-15H2,1-2H3,(H,19,20)
InChIKeyVZMXQXMCDATJAS-UHFFFAOYSA-N
XLogP1.53
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 51.53
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

N-methyl-5-(4-methylphenoxy)pentanamide
CID 134582282
3-[2-[4-[2-[[1-hydroxy-2-[3-(4-methylphenoxy)propoxy]ethyl]amino]ethyl]phenoxy]ethoxy]-N-methylpropanamide
CID 138656939
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate
CID 166004699
2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxymethoxy]-N-methylpropanamide;2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N-methylacetamide;2-[2-(2-butoxyethoxy)ethoxy]-N-methylacetamide;N-methyl-4-(4-methylphenoxy)butanamide;N-methyl-2-[4-(4-methylphenoxy)butoxy]acetamide;N-methyl-2-[2-(4-methylphenoxy)ethoxy]acetamide;N-methyl-4-[2-(4-methylphenoxy)ethoxy]butanamide;N-methyl-2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]acetamide;N-methyl-2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]acetamide;N-methyl-2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetamide;N-methyl-2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide;N-methyl-3-[2-(4-methylphenoxy)ethoxy]propanamide;N-methyl-3-(4-methylphenoxy)propanamide;N-methyl-2-[3-(4-methylphenoxy)propoxy]acetamide;N-methyl-3-[3-(4-methylphenoxy)propoxy]propanamide;N-methyl-2-[2-(4-methylphenyl)ethoxy]acetamide;N-methyl-2-[2-[2-(4-methylphenyl)ethoxy]ethoxy]acetamide;N-methyl-2-[(4-methylphenyl)methoxy]acetamide;N-methyl-2-[2-[(4-methylphenyl)methoxy]ethoxy]acetamide;N-methyl-2-[3-[(4-methylphenyl)methoxy]propoxy]acetamide;N-methyl-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethyl N-methylcarbamate
CID 159317433
N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide
CID 134582626
N-methoxy-3-(4-methylphenoxy)propanamide
CID 60716976
N-methyl-3-[4-(methylaminomethyl)phenoxy]propanamide
CID 62324162
3-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568541
N'-methyl-4-(4-methylphenoxy)butanehydrazide
CID 116820718
2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid
CID 43387562
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxymethoxy]propanamide?
The IUPAC name of N-methyl-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxymethoxy]propanamide (CID 138657094) is N-methyl-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxymethoxy]propanamide.
What is the SMILES notation for N-methyl-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxymethoxy]propanamide?
The canonical SMILES for N-methyl-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxymethoxy]propanamide is CNC(=O)CCOCOCCOCCOCCOc1ccc(C)cc1.
What is the InChIKey of N-methyl-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxymethoxy]propanamide?
The InChIKey is VZMXQXMCDATJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO6/c1-16-3-5-17(6-4-16)25-14-13-22-10-9-21-11-12-24-15-23-8-7-18(20)19-2/h3-6H,7-15H2,1-2H3,(H,19,20).
What are the key properties of N-methyl-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxymethoxy]propanamide?
N-methyl-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxymethoxy]propanamide has a molecular weight of 355.43 g/mol, XLogP of 1.53, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxymethoxy]propanamide is sourced from PubChem (CID 138657094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).