dodecyl N-(4-hydroxyphenyl)carbamate

C19H31NO3 — CID 139715223

IUPACdodecyl N-(4-hydroxyphenyl)carbamate
SMILESCCCCCCCCCCCCOC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C19H31NO3/c1-2-3-4-5-6-7-8-9-10-11-16-23-19(22)20-17-12-14-18(21)15-13-17/h12-15,21H,2-11,16H2,1H3,(H,20,22)
InChIKeyRXYXZGLZEFQSBF-UHFFFAOYSA-N
MW321.46 g/mol
LogP5.86
Rot. Bonds12

About dodecyl N-(4-hydroxyphenyl)carbamate

dodecyl N-(4-hydroxyphenyl)carbamate (PubChem CID 139715223) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is dodecyl N-(4-hydroxyphenyl)carbamate.

Molecular Properties

Compound Namedodecyl N-(4-hydroxyphenyl)carbamate
PubChem CID139715223
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Namedodecyl N-(4-hydroxyphenyl)carbamate
SMILESCCCCCCCCCCCCOC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C19H31NO3/c1-2-3-4-5-6-7-8-9-10-11-16-23-19(22)20-17-12-14-18(21)15-13-17/h12-15,21H,2-11,16H2,1H3,(H,20,22)
InChIKeyRXYXZGLZEFQSBF-UHFFFAOYSA-N
XLogP5.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.46
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 54463320
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
octadecyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate
CID 19594257
dodecyl N-phenylcarbamate
CID 521818
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
4-[dodecyl(ethyl)amino]butyl N-[4-[4-[dodecyl(ethyl)amino]butoxycarbonylamino]phenyl]carbamate
CID 139953680
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
5-iodopentyl N-[4-[[4-(hexoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 163725060
undecyl N-(4-phenyldiazenylphenyl)carbamate
CID 523158
octyl N-(3,4,5-trihydroxyphenyl)carbamate
CID 11044693

Frequently Asked Questions

What is the IUPAC name of dodecyl N-(4-hydroxyphenyl)carbamate?
The IUPAC name of dodecyl N-(4-hydroxyphenyl)carbamate (CID 139715223) is dodecyl N-(4-hydroxyphenyl)carbamate.
What is the SMILES notation for dodecyl N-(4-hydroxyphenyl)carbamate?
The canonical SMILES for dodecyl N-(4-hydroxyphenyl)carbamate is CCCCCCCCCCCCOC(=O)Nc1ccc(O)cc1.
What is the InChIKey of dodecyl N-(4-hydroxyphenyl)carbamate?
The InChIKey is RXYXZGLZEFQSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-2-3-4-5-6-7-8-9-10-11-16-23-19(22)20-17-12-14-18(21)15-13-17/h12-15,21H,2-11,16H2,1H3,(H,20,22).
What are the key properties of dodecyl N-(4-hydroxyphenyl)carbamate?
dodecyl N-(4-hydroxyphenyl)carbamate has a molecular weight of 321.46 g/mol, XLogP of 5.86, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl N-(4-hydroxyphenyl)carbamate is sourced from PubChem (CID 139715223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).