4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate

C13H19NO3 — CID 42638414

IUPAC4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCCCc1ccc(O)cc1
InChIInChI=1S/C13H19NO3/c1-14(2)13(16)17-10-4-3-5-11-6-8-12(15)9-7-11/h6-9,15H,3-5,10H2,1-2H3
InChIKeyANRNAWYTOZXFMP-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.41
Rot. Bonds5

About 4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate

4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate (PubChem CID 42638414) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate
PubChem CID42638414
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCCCc1ccc(O)cc1
InChIInChI=1S/C13H19NO3/c1-14(2)13(16)17-10-4-3-5-11-6-8-12(15)9-7-11/h6-9,15H,3-5,10H2,1-2H3
InChIKeyANRNAWYTOZXFMP-UHFFFAOYSA-N
XLogP2.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-(5-propoxypentyl)phenol
CID 175182886
3-(4-hydroxyphenyl)propyl pentacosanoate
CID 100927949
2-[[(1R)-1-(4-hydroxyphenyl)ethyl]-methylamino]ethyl N,N-dimethylcarbamate
CID 57026280
4-(4-iodophenyl)butyl acetate
CID 67358099
ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255
2-hydroxyethyl 4-(4-hydroxyphenyl)butanoate
CID 139668760
6-(4-chlorophenyl)hexyl acetate
CID 139787467
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
benzyl N,N-dimethylcarbamate
CID 12963450
2-(4-hydroxyphenyl)ethyl pentanoate
CID 54186146
4-[4-[benzyl(methyl)amino]butyl]phenol
CID 82188000

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate?
The IUPAC name of 4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate (CID 42638414) is 4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate.
What is the SMILES notation for 4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate?
The canonical SMILES for 4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate is CN(C)C(=O)OCCCCc1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate?
The InChIKey is ANRNAWYTOZXFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-14(2)13(16)17-10-4-3-5-11-6-8-12(15)9-7-11/h6-9,15H,3-5,10H2,1-2H3.
What are the key properties of 4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate?
4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate has a molecular weight of 237.30 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)butyl N,N-dimethylcarbamate is sourced from PubChem (CID 42638414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).