4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate

C15H23NO4 — CID 166004699

IUPAC4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate
SMILESCNC(=O)OCCCCOCCOc1ccc(C)cc1
InChIInChI=1S/C15H23NO4/c1-13-5-7-14(8-6-13)19-12-11-18-9-3-4-10-20-15(17)16-2/h5-8H,3-4,9-12H2,1-2H3,(H,16,17)
InChIKeyKMPUYVKWCUBKLD-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.53
Rot. Bonds9

About 4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate

4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate (PubChem CID 166004699) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate.

Molecular Properties

Compound Name4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate
PubChem CID166004699
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate
SMILESCNC(=O)OCCCCOCCOc1ccc(C)cc1
InChIInChI=1S/C15H23NO4/c1-13-5-7-14(8-6-13)19-12-11-18-9-3-4-10-20-15(17)16-2/h5-8H,3-4,9-12H2,1-2H3,(H,16,17)
InChIKeyKMPUYVKWCUBKLD-UHFFFAOYSA-N
XLogP2.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.53
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

2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 71104188
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
N-methyl-3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxymethoxy]propanamide
CID 138657094
N-methyl-5-(4-methylphenoxy)pentanamide
CID 134582282
methyl 2-[3-[5-(4-methylphenoxy)pentoxy]propoxy]acetate
CID 168969969
2-[2-(2-methoxyethoxy)ethoxy]ethyl 11-(4-methylphenoxy)undecanoate
CID 23522622
N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide
CID 134582626
3-[2-(2-methoxyethoxy)ethoxy]propyl N-methylcarbamate
CID 177295921
bis[6-[6-(4-methylphenoxy)hexoxy]-6-oxohexyl] butanedioate
CID 58027900
5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate?
The IUPAC name of 4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate (CID 166004699) is 4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate.
What is the SMILES notation for 4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate?
The canonical SMILES for 4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate is CNC(=O)OCCCCOCCOc1ccc(C)cc1.
What is the InChIKey of 4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate?
The InChIKey is KMPUYVKWCUBKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-13-5-7-14(8-6-13)19-12-11-18-9-3-4-10-20-15(17)16-2/h5-8H,3-4,9-12H2,1-2H3,(H,16,17).
What are the key properties of 4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate?
4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate has a molecular weight of 281.35 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenoxy)ethoxy]butyl N-methylcarbamate is sourced from PubChem (CID 166004699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).