tert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate

C17H21N3O2 — CID 129409429

IUPACtert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](c1ccccc1)c1ccnnc1
InChIInChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)18-12-15(13-7-5-4-6-8-13)14-9-10-19-20-11-14/h4-11,15H,12H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyDBMSQZGNHNPNRT-OAHLLOKOSA-N
MW299.37 g/mol
LogP3.13
Rot. Bonds4

About tert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate

tert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate (PubChem CID 129409429) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate
PubChem CID129409429
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Nametert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](c1ccccc1)c1ccnnc1
InChIInChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)18-12-15(13-7-5-4-6-8-13)14-9-10-19-20-11-14/h4-11,15H,12H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyDBMSQZGNHNPNRT-OAHLLOKOSA-N
XLogP3.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate
CID 10658734
(2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid
CID 11231294
tert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate
CID 57222453
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
CID 129375181
tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate
CID 97086612
tert-butyl N-[(2R)-2-[(5-oxo-1,4-dihydroimidazol-2-yl)amino]-2-phenylethyl]carbamate
CID 170157848
tert-butyl N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]carbamate
CID 140840685
tert-butyl N-[3-(2,2-diphenylethylcarbamothioylamino)propyl]-N-[4-[3-(2,2-diphenylethylcarbamothioylamino)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate
CID 46867526
tert-butyl N-[3-(2,2-diphenylethylcarbamothioylamino)propyl]-N-[3-[3-(2,2-diphenylethylcarbamothioylamino)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamate
CID 46867527
tert-butyl N-[(2S)-3-(isoquinolin-5-ylamino)-3-oxo-2-phenylpropyl]carbamate
CID 129379308
tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate
CID 115606965

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate (CID 129409429) is tert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate is CC(C)(C)OC(=O)NC[C@H](c1ccccc1)c1ccnnc1.
What is the InChIKey of tert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate?
The InChIKey is DBMSQZGNHNPNRT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)18-12-15(13-7-5-4-6-8-13)14-9-10-19-20-11-14/h4-11,15H,12H2,1-3H3,(H,18,21)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate?
tert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate has a molecular weight of 299.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate is sourced from PubChem (CID 129409429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).