octyl N-(3-phenylpyridazin-4-yl)carbamate

C19H25N3O2 — CID 70534744

IUPACoctyl N-(3-phenylpyridazin-4-yl)carbamate
SMILESCCCCCCCCOC(=O)Nc1ccnnc1-c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-2-3-4-5-6-10-15-24-19(23)21-17-13-14-20-22-18(17)16-11-8-7-9-12-16/h7-9,11-14H,2-6,10,15H2,1H3,(H,20,21,23)
InChIKeyPEXSBDSORZHJGI-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.05
Rot. Bonds9

About octyl N-(3-phenylpyridazin-4-yl)carbamate

octyl N-(3-phenylpyridazin-4-yl)carbamate (PubChem CID 70534744) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is octyl N-(3-phenylpyridazin-4-yl)carbamate.

Molecular Properties

Compound Nameoctyl N-(3-phenylpyridazin-4-yl)carbamate
PubChem CID70534744
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Nameoctyl N-(3-phenylpyridazin-4-yl)carbamate
SMILESCCCCCCCCOC(=O)Nc1ccnnc1-c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-2-3-4-5-6-10-15-24-19(23)21-17-13-14-20-22-18(17)16-11-8-7-9-12-16/h7-9,11-14H,2-6,10,15H2,1H3,(H,20,21,23)
InChIKeyPEXSBDSORZHJGI-UHFFFAOYSA-N
XLogP5.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dodecyl N-phenylcarbamate
CID 521818
pentyl N-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate
CID 136609072
hexyl N-(3-chloro-2-hydroxyphenyl)carbamate
CID 69009032
3-(decoxycarbonylamino)-2-hydroxybenzoic acid
CID 19000845
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
N-(6-octoxy-3-phenylpyridazin-4-yl)heptanamide
CID 70534386
pentyl N-(2,3-dimethylphenyl)carbamate
CID 67224128
undecyl N-(4-phenyldiazenylphenyl)carbamate
CID 523158
octadecyl N-(2,6-dimethylphenyl)carbamate
CID 10002058
octyl N-(2,4-diaminophenyl)carbamate
CID 22315946
methyl 2-(hexadecoxycarbonylamino)-6-hydroxybenzoate
CID 139715263
phenyl N-(6-butoxy-3-phenylpyridazin-4-yl)carbamate
CID 70533737

Frequently Asked Questions

What is the IUPAC name of octyl N-(3-phenylpyridazin-4-yl)carbamate?
The IUPAC name of octyl N-(3-phenylpyridazin-4-yl)carbamate (CID 70534744) is octyl N-(3-phenylpyridazin-4-yl)carbamate.
What is the SMILES notation for octyl N-(3-phenylpyridazin-4-yl)carbamate?
The canonical SMILES for octyl N-(3-phenylpyridazin-4-yl)carbamate is CCCCCCCCOC(=O)Nc1ccnnc1-c1ccccc1.
What is the InChIKey of octyl N-(3-phenylpyridazin-4-yl)carbamate?
The InChIKey is PEXSBDSORZHJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-3-4-5-6-10-15-24-19(23)21-17-13-14-20-22-18(17)16-11-8-7-9-12-16/h7-9,11-14H,2-6,10,15H2,1H3,(H,20,21,23).
What are the key properties of octyl N-(3-phenylpyridazin-4-yl)carbamate?
octyl N-(3-phenylpyridazin-4-yl)carbamate has a molecular weight of 327.43 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-(3-phenylpyridazin-4-yl)carbamate is sourced from PubChem (CID 70534744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).