undecyl N-(4-phenyldiazenylphenyl)carbamate

C24H33N3O2 — CID 523158

IUPACundecyl N-(4-phenyldiazenylphenyl)carbamate
SMILESCCCCCCCCCCCOC(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C24H33N3O2/c1-2-3-4-5-6-7-8-9-13-20-29-24(28)25-21-16-18-23(19-17-21)27-26-22-14-11-10-12-15-22/h10-12,14-19H,2-9,13,20H2,1H3,(H,25,28)/b27-26+
InChIKeyKMABDBDYQMWHMX-CYYJNZCTSA-N
MW395.55 g/mol
LogP8.18
Rot. Bonds13

About undecyl N-(4-phenyldiazenylphenyl)carbamate

undecyl N-(4-phenyldiazenylphenyl)carbamate (PubChem CID 523158) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is undecyl N-(4-phenyldiazenylphenyl)carbamate.

Molecular Properties

Compound Nameundecyl N-(4-phenyldiazenylphenyl)carbamate
PubChem CID523158
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Nameundecyl N-(4-phenyldiazenylphenyl)carbamate
SMILESCCCCCCCCCCCOC(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C24H33N3O2/c1-2-3-4-5-6-7-8-9-13-20-29-24(28)25-21-16-18-23(19-17-21)27-26-22-14-11-10-12-15-22/h10-12,14-19H,2-9,13,20H2,1H3,(H,25,28)/b27-26+
InChIKeyKMABDBDYQMWHMX-CYYJNZCTSA-N
XLogP8.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

dodecyl N-phenylcarbamate
CID 521818
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
decyl 4-(4-phenyldiazenylanilino)-4-sulfanylidenebutanoate
CID 88810597
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 54463320
sodium 2-hydroxy-4-(octoxycarbonylamino)benzoate
CID 139688580
pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate
CID 2249987
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-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126491954

Frequently Asked Questions

What is the IUPAC name of undecyl N-(4-phenyldiazenylphenyl)carbamate?
The IUPAC name of undecyl N-(4-phenyldiazenylphenyl)carbamate (CID 523158) is undecyl N-(4-phenyldiazenylphenyl)carbamate.
What is the SMILES notation for undecyl N-(4-phenyldiazenylphenyl)carbamate?
The canonical SMILES for undecyl N-(4-phenyldiazenylphenyl)carbamate is CCCCCCCCCCCOC(=O)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of undecyl N-(4-phenyldiazenylphenyl)carbamate?
The InChIKey is KMABDBDYQMWHMX-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-2-3-4-5-6-7-8-9-13-20-29-24(28)25-21-16-18-23(19-17-21)27-26-22-14-11-10-12-15-22/h10-12,14-19H,2-9,13,20H2,1H3,(H,25,28)/b27-26+.
What are the key properties of undecyl N-(4-phenyldiazenylphenyl)carbamate?
undecyl N-(4-phenyldiazenylphenyl)carbamate has a molecular weight of 395.55 g/mol, XLogP of 8.18, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for undecyl N-(4-phenyldiazenylphenyl)carbamate is sourced from PubChem (CID 523158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).