octyl N-(2,4-diaminophenyl)carbamate

C15H25N3O2 — CID 22315946

IUPACoctyl N-(2,4-diaminophenyl)carbamate
SMILESCCCCCCCCOC(=O)Nc1ccc(N)cc1N
InChIInChI=1S/C15H25N3O2/c1-2-3-4-5-6-7-10-20-15(19)18-14-9-8-12(16)11-13(14)17/h8-9,11H,2-7,10,16-17H2,1H3,(H,18,19)
InChIKeyXEBPBCBFRAVGFC-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.76
Rot. Bonds8

About octyl N-(2,4-diaminophenyl)carbamate

octyl N-(2,4-diaminophenyl)carbamate (PubChem CID 22315946) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is octyl N-(2,4-diaminophenyl)carbamate.

Molecular Properties

Compound Nameoctyl N-(2,4-diaminophenyl)carbamate
PubChem CID22315946
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nameoctyl N-(2,4-diaminophenyl)carbamate
SMILESCCCCCCCCOC(=O)Nc1ccc(N)cc1N
InChIInChI=1S/C15H25N3O2/c1-2-3-4-5-6-7-10-20-15(19)18-14-9-8-12(16)11-13(14)17/h8-9,11H,2-7,10,16-17H2,1H3,(H,18,19)
InChIKeyXEBPBCBFRAVGFC-UHFFFAOYSA-N
XLogP3.76
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexyl N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
CID 137420687
hexyl 2-acetamido-5-aminobenzoate
CID 157010770
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
methyl 2-(hexoxycarbonylamino)-5-hydroxybenzoate
CID 139715304
octyl N-(3,4,5-trihydroxyphenyl)carbamate
CID 11044693
dodecyl N-phenylcarbamate
CID 521818
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
nonyl 4-amino-2-fluorobenzoate
CID 63450769
butyl N-(2,4-dibromophenyl)carbamate
CID 56698243
pentyl N-(2,3-dimethylphenyl)carbamate
CID 67224128
hexyl N-(3-chloro-2-hydroxyphenyl)carbamate
CID 69009032

Frequently Asked Questions

What is the IUPAC name of octyl N-(2,4-diaminophenyl)carbamate?
The IUPAC name of octyl N-(2,4-diaminophenyl)carbamate (CID 22315946) is octyl N-(2,4-diaminophenyl)carbamate.
What is the SMILES notation for octyl N-(2,4-diaminophenyl)carbamate?
The canonical SMILES for octyl N-(2,4-diaminophenyl)carbamate is CCCCCCCCOC(=O)Nc1ccc(N)cc1N.
What is the InChIKey of octyl N-(2,4-diaminophenyl)carbamate?
The InChIKey is XEBPBCBFRAVGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-3-4-5-6-7-10-20-15(19)18-14-9-8-12(16)11-13(14)17/h8-9,11H,2-7,10,16-17H2,1H3,(H,18,19).
What are the key properties of octyl N-(2,4-diaminophenyl)carbamate?
octyl N-(2,4-diaminophenyl)carbamate has a molecular weight of 279.38 g/mol, XLogP of 3.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-(2,4-diaminophenyl)carbamate is sourced from PubChem (CID 22315946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).