N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide

C18H17N5O3 — CID 51229017

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C18H17N5O3/c24-18(20-14-6-7-16-17(11-14)26-9-8-25-16)15(23-12-19-21-22-23)10-13-4-2-1-3-5-13/h1-7,11-12,15H,8-10H2,(H,20,24)
InChIKeyKDTWOKPRKVUIMX-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.87
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 51229017) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID51229017
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C18H17N5O3/c24-18(20-14-6-7-16-17(11-14)26-9-8-25-16)15(23-12-19-21-22-23)10-13-4-2-1-3-5-13/h1-7,11-12,15H,8-10H2,(H,20,24)
InChIKeyKDTWOKPRKVUIMX-UHFFFAOYSA-N
XLogP1.87
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-phenyl-N-[4-(sulfamoylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide
CID 24669149
(2S)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 75488929
propyl 4-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]benzoate
CID 74661614
(2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide
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3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 171132478
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
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(2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
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(2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51981117
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(tetrazol-1-yl)anilino]propanamide
CID 4804176
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269
N-(1,3-benzodioxol-5-yl)-3-phenyl-2-sulfanylpropanamide
CID 107021832
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 51229017) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide is O=C(Nc1ccc2c(c1)OCCO2)C(Cc1ccccc1)n1cnnn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is KDTWOKPRKVUIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-18(20-14-6-7-16-17(11-14)26-9-8-25-16)15(23-12-19-21-22-23)10-13-4-2-1-3-5-13/h1-7,11-12,15H,8-10H2,(H,20,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 351.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 51229017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).