tert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate

C19H26N4O4 — CID 14884400

IUPACtert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)Cc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C19H26N4O4/c1-19(2,3)27-18(26)21-11-10-20-17(25)12-13-4-6-14(7-5-13)15-8-9-16(24)23-22-15/h4-7H,8-12H2,1-3H3,(H,20,25)(H,21,26)(H,23,24)
InChIKeyGZHRMIAUCICWIY-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.48
Rot. Bonds6

About tert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate

tert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate (PubChem CID 14884400) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate
PubChem CID14884400
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Nametert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)Cc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C19H26N4O4/c1-19(2,3)27-18(26)21-11-10-20-17(25)12-13-4-6-14(7-5-13)15-8-9-16(24)23-22-15/h4-7H,8-12H2,1-3H3,(H,20,25)(H,21,26)(H,23,24)
InChIKeyGZHRMIAUCICWIY-UHFFFAOYSA-N
XLogP1.48
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
CID 71089085
N-[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]ethyl]acetamide
CID 70613417
tert-butyl N-[3-[2-[[2-(4-bromophenyl)acetyl]amino]ethylamino]-3-oxopropyl]carbamate
CID 108919137
2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
CID 12805018
tert-butyl N-[3-[[2-(4-aminophenyl)acetyl]amino]propyl]carbamate
CID 104932589
tert-butyl N-[2-[[2-[4-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetyl]amino]ethyl]carbamate
CID 129145057
tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
CID 52859596
N-[(2-fluorophenyl)methyl]-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
CID 20765705
tert-butyl N-[3-(4-methylphenyl)propyl]carbamate
CID 142219168
tert-butyl N-[2-[4-(4-iodophenyl)butanoylamino]ethyl]carbamate
CID 177072985
tert-butyl N-[3-[[2-(4-bromo-3-fluorophenyl)acetyl]amino]propyl]carbamate
CID 176515908
4-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]butyl 3-aminobut-2-enoate
CID 70373782

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate (CID 14884400) is tert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)Cc1ccc(C2=NNC(=O)CC2)cc1.
What is the InChIKey of tert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate?
The InChIKey is GZHRMIAUCICWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-19(2,3)27-18(26)21-11-10-20-17(25)12-13-4-6-14(7-5-13)15-8-9-16(24)23-22-15/h4-7H,8-12H2,1-3H3,(H,20,25)(H,21,26)(H,23,24).
What are the key properties of tert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate has a molecular weight of 374.44 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetyl]amino]ethyl]carbamate is sourced from PubChem (CID 14884400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).