octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate

C21H27NO3 — CID 54463320

IUPACoctyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
SMILESCCCCCCCCOC(=O)Nc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-2-3-4-5-6-7-16-25-21(24)22-19-12-8-17(9-13-19)18-10-14-20(23)15-11-18/h8-15,23H,2-7,16H2,1H3,(H,22,24)
InChIKeyXDDBSFKATPJACR-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.97
Rot. Bonds9

About octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate

octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate (PubChem CID 54463320) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate.

Molecular Properties

Compound Nameoctyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
PubChem CID54463320
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Nameoctyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
SMILESCCCCCCCCOC(=O)Nc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-2-3-4-5-6-7-16-25-21(24)22-19-12-8-17(9-13-19)18-10-14-20(23)15-11-18/h8-15,23H,2-7,16H2,1H3,(H,22,24)
InChIKeyXDDBSFKATPJACR-UHFFFAOYSA-N
XLogP5.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
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
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
5-iodopentyl N-[4-[[4-(hexoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 163725060
undecyl N-(4-phenyldiazenylphenyl)carbamate
CID 523158

Frequently Asked Questions

What is the IUPAC name of octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate?
The IUPAC name of octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate (CID 54463320) is octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate.
What is the SMILES notation for octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate?
The canonical SMILES for octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate is CCCCCCCCOC(=O)Nc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate?
The InChIKey is XDDBSFKATPJACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-2-3-4-5-6-7-16-25-21(24)22-19-12-8-17(9-13-19)18-10-14-20(23)15-11-18/h8-15,23H,2-7,16H2,1H3,(H,22,24).
What are the key properties of octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate?
octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate has a molecular weight of 341.45 g/mol, XLogP of 5.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate is sourced from PubChem (CID 54463320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).