tert-butyl N-[2-(2-hydrazinyl-2-oxoethyl)phenyl]carbamate;1-chloropentane

C18H30ClN3O3 — CID 175581046

IUPACtert-butyl N-[2-(2-hydrazinyl-2-oxoethyl)phenyl]carbamate;1-chloropentane
SMILESCC(C)(C)OC(=O)Nc1ccccc1CC(=O)NN.CCCCCCl
InChIInChI=1S/C13H19N3O3.C5H11Cl/c1-13(2,3)19-12(18)15-10-7-5-4-6-9(10)8-11(17)16-14;1-2-3-4-5-6/h4-7H,8,14H2,1-3H3,(H,15,18)(H,16,17);2-5H2,1H3
InChIKeyBQICSWIWUBSCSN-UHFFFAOYSA-N
MW371.91 g/mol
LogP3.98
Rot. Bonds6

About tert-butyl N-[2-(2-hydrazinyl-2-oxoethyl)phenyl]carbamate;1-chloropentane

tert-butyl N-[2-(2-hydrazinyl-2-oxoethyl)phenyl]carbamate;1-chloropentane (PubChem CID 175581046) has the molecular formula C18H30ClN3O3 and a molecular weight of 371.91 g/mol. Its IUPAC name is tert-butyl N-[2-(2-hydrazinyl-2-oxoethyl)phenyl]carbamate;1-chloropentane.

Molecular Properties

Compound Nametert-butyl N-[2-(2-hydrazinyl-2-oxoethyl)phenyl]carbamate;1-chloropentane
PubChem CID175581046
Molecular FormulaC18H30ClN3O3
Molecular Weight371.91 g/mol
Exact Mass371.20
IUPAC Nametert-butyl N-[2-(2-hydrazinyl-2-oxoethyl)phenyl]carbamate;1-chloropentane
SMILESCC(C)(C)OC(=O)Nc1ccccc1CC(=O)NN.CCCCCCl
InChIInChI=1S/C13H19N3O3.C5H11Cl/c1-13(2,3)19-12(18)15-10-7-5-4-6-9(10)8-11(17)16-14;1-2-3-4-5-6/h4-7H,8,14H2,1-3H3,(H,15,18)(H,16,17);2-5H2,1H3
InChIKeyBQICSWIWUBSCSN-UHFFFAOYSA-N
XLogP3.98
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-hydrazinyl-2-oxoethyl)phenyl]carbamate;1-chloropentane?
The IUPAC name of tert-butyl N-[2-(2-hydrazinyl-2-oxoethyl)phenyl]carbamate;1-chloropentane (CID 175581046) is tert-butyl N-[2-(2-hydrazinyl-2-oxoethyl)phenyl]carbamate;1-chloropentane.
What is the SMILES notation for tert-butyl N-[2-(2-hydrazinyl-2-oxoethyl)phenyl]carbamate;1-chloropentane?
The canonical SMILES for tert-butyl N-[2-(2-hydrazinyl-2-oxoethyl)phenyl]carbamate;1-chloropentane is CC(C)(C)OC(=O)Nc1ccccc1CC(=O)NN.CCCCCCl.
What is the InChIKey of tert-butyl N-[2-(2-hydrazinyl-2-oxoethyl)phenyl]carbamate;1-chloropentane?
The InChIKey is BQICSWIWUBSCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3.C5H11Cl/c1-13(2,3)19-12(18)15-10-7-5-4-6-9(10)8-11(17)16-14;1-2-3-4-5-6/h4-7H,8,14H2,1-3H3,(H,15,18)(H,16,17);2-5H2,1H3.
What are the key properties of tert-butyl N-[2-(2-hydrazinyl-2-oxoethyl)phenyl]carbamate;1-chloropentane?
tert-butyl N-[2-(2-hydrazinyl-2-oxoethyl)phenyl]carbamate;1-chloropentane has a molecular weight of 371.91 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-hydrazinyl-2-oxoethyl)phenyl]carbamate;1-chloropentane is sourced from PubChem (CID 175581046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).