(4-methoxyphenyl)methyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate

C22H23N3O4 — CID 88630319

IUPAC(4-methoxyphenyl)methyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate
SMILESCCCOc1c/c(=N\C(=O)OCc2ccc(OC)cc2)cnn1-c1ccccc1
InChIInChI=1S/C22H23N3O4/c1-3-13-28-21-14-18(15-23-25(21)19-7-5-4-6-8-19)24-22(26)29-16-17-9-11-20(27-2)12-10-17/h4-12,14-15H,3,13,16H2,1-2H3/b24-18+
InChIKeyAQKVKLKESANSLE-HKOYGPOVSA-N
MW393.44 g/mol
LogP3.91
Rot. Bonds7

About (4-methoxyphenyl)methyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate

(4-methoxyphenyl)methyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate (PubChem CID 88630319) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate
PubChem CID88630319
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name(4-methoxyphenyl)methyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate
SMILESCCCOc1c/c(=N\C(=O)OCc2ccc(OC)cc2)cnn1-c1ccccc1
InChIInChI=1S/C22H23N3O4/c1-3-13-28-21-14-18(15-23-25(21)19-7-5-4-6-8-19)24-22(26)29-16-17-9-11-20(27-2)12-10-17/h4-12,14-15H,3,13,16H2,1-2H3/b24-18+
InChIKeyAQKVKLKESANSLE-HKOYGPOVSA-N
XLogP3.91
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CID 619798
2-Propenal, 3,3-bis(4-methoxyphenyl)-, 2,2-diphenylhydrazone
CID 9589457
3-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 5716922
N-[(Z)-3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline
CID 5748798
N-benzyl-N-[(E)-(4-methoxyphenyl)methylideneamino]aniline
CID 5333872
1-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine
CID 748140
4-Methoxybenzaldehyde diphenylhydrazone
CID 3091809
N-[3,3-bis(4-methoxyphenyl)prop-2-enylideneamino]-N-phenylaniline
CID 3086299
(4-fluorophenyl) N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate
CID 53695734
[3-(trifluoromethyl)phenyl] N-(1-phenylpyridazin-4-ylidene)carbamate
CID 53935324
[3-(trifluoromethyl)phenyl] N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate
CID 54436539
(4-fluorophenyl)methyl N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate
CID 70393552

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate?
The IUPAC name of (4-methoxyphenyl)methyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate (CID 88630319) is (4-methoxyphenyl)methyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate is CCCOc1c/c(=N\C(=O)OCc2ccc(OC)cc2)cnn1-c1ccccc1.
What is the InChIKey of (4-methoxyphenyl)methyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate?
The InChIKey is AQKVKLKESANSLE-HKOYGPOVSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-13-28-21-14-18(15-23-25(21)19-7-5-4-6-8-19)24-22(26)29-16-17-9-11-20(27-2)12-10-17/h4-12,14-15H,3,13,16H2,1-2H3/b24-18+.
What are the key properties of (4-methoxyphenyl)methyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate?
(4-methoxyphenyl)methyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate has a molecular weight of 393.44 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl (NE)-N-(1-phenyl-6-propoxypyridazin-4-ylidene)carbamate is sourced from PubChem (CID 88630319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).