N-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide

C23H19N5O4 — CID 47004283

IUPACN-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
SMILESCOc1cc2c(cc1NC(=O)C(C)Oc1ccc(-n3cnnn3)cc1)oc1ccccc12
InChIInChI=1S/C23H19N5O4/c1-14(31-16-9-7-15(8-10-16)28-13-24-26-27-28)23(29)25-19-12-21-18(11-22(19)30-2)17-5-3-4-6-20(17)32-21/h3-14H,1-2H3,(H,25,29)
InChIKeySWCWXWJITXBGQI-UHFFFAOYSA-N
MW429.44 g/mol
LogP3.98
Rot. Bonds6

About N-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide

N-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide (PubChem CID 47004283) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
PubChem CID47004283
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
SMILESCOc1cc2c(cc1NC(=O)C(C)Oc1ccc(-n3cnnn3)cc1)oc1ccccc12
InChIInChI=1S/C23H19N5O4/c1-14(31-16-9-7-15(8-10-16)28-13-24-26-27-28)23(29)25-19-12-21-18(11-22(19)30-2)17-5-3-4-6-20(17)32-21/h3-14H,1-2H3,(H,25,29)
InChIKeySWCWXWJITXBGQI-UHFFFAOYSA-N
XLogP3.98
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-acetamidophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4805328
(2S)-2-(4-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7962389
N-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7705710
2-(3-ethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 22831051
(2S)-2-(2-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7815222
(2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7668646
N-[2-(difluoromethoxy)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 46633898
(2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7613372
2-(2,3-dimethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 18291295
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7783804
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide
CID 25411874
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7916291

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide (CID 47004283) is N-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide is COc1cc2c(cc1NC(=O)C(C)Oc1ccc(-n3cnnn3)cc1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide?
The InChIKey is SWCWXWJITXBGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c1-14(31-16-9-7-15(8-10-16)28-13-24-26-27-28)23(29)25-19-12-21-18(11-22(19)30-2)17-5-3-4-6-20(17)32-21/h3-14H,1-2H3,(H,25,29).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide?
N-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide has a molecular weight of 429.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide is sourced from PubChem (CID 47004283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).