3-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide

C20H23N5O4 — CID 3694485

IUPAC3-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCCOc1ccccc1NC(=O)C(Cc1cccc(OC)c1OC)c1nn[nH]n1
InChIInChI=1S/C20H23N5O4/c1-4-29-16-10-6-5-9-15(16)21-20(26)14(19-22-24-25-23-19)12-13-8-7-11-17(27-2)18(13)28-3/h5-11,14H,4,12H2,1-3H3,(H,21,26)(H,22,23,24,25)
InChIKeyXVULKWNMGZSPPZ-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.58
Rot. Bonds9

About 3-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide

3-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 3694485) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID3694485
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name3-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCCOc1ccccc1NC(=O)C(Cc1cccc(OC)c1OC)c1nn[nH]n1
InChIInChI=1S/C20H23N5O4/c1-4-29-16-10-6-5-9-15(16)21-20(26)14(19-22-24-25-23-19)12-13-8-7-11-17(27-2)18(13)28-3/h5-11,14H,4,12H2,1-3H3,(H,21,26)(H,22,23,24,25)
InChIKeyXVULKWNMGZSPPZ-UHFFFAOYSA-N
XLogP2.58
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175083
(2R)-3-(2,3-dimethoxyphenyl)-N-(3-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175088
N-(2-ethylphenyl)-3-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 5003416
3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171040
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3170973
(2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1174993
(2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175118
(2R)-3-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175048
(2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175113
(2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 7289597
3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3453758
3-(2,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171049

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 3694485) is 3-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is CCOc1ccccc1NC(=O)C(Cc1cccc(OC)c1OC)c1nn[nH]n1.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is XVULKWNMGZSPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-4-29-16-10-6-5-9-15(16)21-20(26)14(19-22-24-25-23-19)12-13-8-7-11-17(27-2)18(13)28-3/h5-11,14H,4,12H2,1-3H3,(H,21,26)(H,22,23,24,25).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
3-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 397.44 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 3694485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).