phenyl N-(4-undecoxyphenyl)carbamate

C24H33NO3 — CID 20872834

IUPACphenyl N-(4-undecoxyphenyl)carbamate
SMILESCCCCCCCCCCCOc1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C24H33NO3/c1-2-3-4-5-6-7-8-9-13-20-27-22-18-16-21(17-19-22)25-24(26)28-23-14-11-10-12-15-23/h10-12,14-19H,2-9,13,20H2,1H3,(H,25,26)
InChIKeyQJLORVSDABTRCS-UHFFFAOYSA-N
MW383.53 g/mol
LogP7.21
Rot. Bonds13

About phenyl N-(4-undecoxyphenyl)carbamate

phenyl N-(4-undecoxyphenyl)carbamate (PubChem CID 20872834) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is phenyl N-(4-undecoxyphenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-undecoxyphenyl)carbamate
PubChem CID20872834
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Namephenyl N-(4-undecoxyphenyl)carbamate
SMILESCCCCCCCCCCCOc1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C24H33NO3/c1-2-3-4-5-6-7-8-9-13-20-27-22-18-16-21(17-19-22)25-24(26)28-23-14-11-10-12-15-23/h10-12,14-19H,2-9,13,20H2,1H3,(H,25,26)
InChIKeyQJLORVSDABTRCS-UHFFFAOYSA-N
XLogP7.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 57.21
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

Phenacetin
CID 4754
Desmedipham
CID 24743
Dulcin
CID 9013
Diamfenetide
CID 37384
Diacetamate
CID 17499
4-Isopropoxydiphenylamine
CID 7574
N-(4-Phenoxyphenyl)acetamide
CID 80579
N,N'-(Di-p-methoxyphenyl)urea
CID 136951
Isopropyl N-(4-methoxyphenyl)carbamate
CID 186315
Acetamide, N-(4-butoxyphenyl)-
CID 90165
Carbizocaine
CID 50266
benzaldehyde O-4-(decyloxy)phenylcarbamoyl oxime
CID 20872793

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-undecoxyphenyl)carbamate?
The IUPAC name of phenyl N-(4-undecoxyphenyl)carbamate (CID 20872834) is phenyl N-(4-undecoxyphenyl)carbamate.
What is the SMILES notation for phenyl N-(4-undecoxyphenyl)carbamate?
The canonical SMILES for phenyl N-(4-undecoxyphenyl)carbamate is CCCCCCCCCCCOc1ccc(NC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-(4-undecoxyphenyl)carbamate?
The InChIKey is QJLORVSDABTRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-2-3-4-5-6-7-8-9-13-20-27-22-18-16-21(17-19-22)25-24(26)28-23-14-11-10-12-15-23/h10-12,14-19H,2-9,13,20H2,1H3,(H,25,26).
What are the key properties of phenyl N-(4-undecoxyphenyl)carbamate?
phenyl N-(4-undecoxyphenyl)carbamate has a molecular weight of 383.53 g/mol, XLogP of 7.21, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-undecoxyphenyl)carbamate is sourced from PubChem (CID 20872834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).