octyl N-amino-N-phenylcarbamate

C15H24N2O2 — CID 174873425

IUPACoctyl N-amino-N-phenylcarbamate
SMILESCCCCCCCCOC(=O)N(N)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-2-3-4-5-6-10-13-19-15(18)17(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13,16H2,1H3
InChIKeyAJSSMBNZCVITMQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.86
Rot. Bonds8

About octyl N-amino-N-phenylcarbamate

octyl N-amino-N-phenylcarbamate (PubChem CID 174873425) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is octyl N-amino-N-phenylcarbamate.

Molecular Properties

Compound Nameoctyl N-amino-N-phenylcarbamate
PubChem CID174873425
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nameoctyl N-amino-N-phenylcarbamate
SMILESCCCCCCCCOC(=O)N(N)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-2-3-4-5-6-10-13-19-15(18)17(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13,16H2,1H3
InChIKeyAJSSMBNZCVITMQ-UHFFFAOYSA-N
XLogP3.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 172820816
butyl benzoate;hexyl benzoate
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CID 162308343
CID 162308343
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Frequently Asked Questions

What is the IUPAC name of octyl N-amino-N-phenylcarbamate?
The IUPAC name of octyl N-amino-N-phenylcarbamate (CID 174873425) is octyl N-amino-N-phenylcarbamate.
What is the SMILES notation for octyl N-amino-N-phenylcarbamate?
The canonical SMILES for octyl N-amino-N-phenylcarbamate is CCCCCCCCOC(=O)N(N)c1ccccc1.
What is the InChIKey of octyl N-amino-N-phenylcarbamate?
The InChIKey is AJSSMBNZCVITMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-4-5-6-10-13-19-15(18)17(16)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13,16H2,1H3.
What are the key properties of octyl N-amino-N-phenylcarbamate?
octyl N-amino-N-phenylcarbamate has a molecular weight of 264.37 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-amino-N-phenylcarbamate is sourced from PubChem (CID 174873425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).