(2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide

C22H18N4O4 — CID 7668646

IUPAC(2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
SMILESCOc1cc2c(cc1NC(=O)[C@@H](C)On1nnc3ccccc31)oc1ccccc12
InChIInChI=1S/C22H18N4O4/c1-13(30-26-18-9-5-4-8-16(18)24-25-26)22(27)23-17-12-20-15(11-21(17)28-2)14-7-3-6-10-19(14)29-20/h3-13H,1-2H3,(H,23,27)/t13-/m1/s1
InChIKeyUMXXLGZDYYWIAB-CYBMUJFWSA-N
MW402.41 g/mol
LogP3.80
Rot. Bonds5

About (2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide

(2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide (PubChem CID 7668646) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is (2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
PubChem CID7668646
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name(2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
SMILESCOc1cc2c(cc1NC(=O)[C@@H](C)On1nnc3ccccc31)oc1ccccc12
InChIInChI=1S/C22H18N4O4/c1-13(30-26-18-9-5-4-8-16(18)24-25-26)22(27)23-17-12-20-15(11-21(17)28-2)14-7-3-6-10-19(14)29-20/h3-13H,1-2H3,(H,23,27)/t13-/m1/s1
InChIKeyUMXXLGZDYYWIAB-CYBMUJFWSA-N
XLogP3.80
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate
CID 7811454
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7783804
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-(2-methylphenyl)acetate
CID 7489192
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide
CID 25411874
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717571
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821691
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821695
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 4802218
(2S)-2-(2-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7815222
N-(2-methoxydibenzofuran-3-yl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 47004283
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-aminobenzoate
CID 7890835
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 3980526

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide?
The IUPAC name of (2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide (CID 7668646) is (2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide?
The canonical SMILES for (2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide is COc1cc2c(cc1NC(=O)[C@@H](C)On1nnc3ccccc31)oc1ccccc12.
What is the InChIKey of (2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide?
The InChIKey is UMXXLGZDYYWIAB-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H18N4O4/c1-13(30-26-18-9-5-4-8-16(18)24-25-26)22(27)23-17-12-20-15(11-21(17)28-2)14-7-3-6-10-19(14)29-20/h3-13H,1-2H3,(H,23,27)/t13-/m1/s1.
What are the key properties of (2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide?
(2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide has a molecular weight of 402.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide is sourced from PubChem (CID 7668646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).