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

C19H21N5O4 — CID 1175083

IUPAC(2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](Cc1cccc(OC)c1OC)c1nn[nH]n1
InChIInChI=1S/C19H21N5O4/c1-26-15-9-5-4-8-14(15)20-19(25)13(18-21-23-24-22-18)11-12-7-6-10-16(27-2)17(12)28-3/h4-10,13H,11H2,1-3H3,(H,20,25)(H,21,22,23,24)/t13-/m0/s1
InChIKeyUUOFXAGDWSDFRV-ZDUSSCGKSA-N
MW383.41 g/mol
LogP2.19
Rot. Bonds8

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

(2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 1175083) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is (2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID1175083
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name(2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](Cc1cccc(OC)c1OC)c1nn[nH]n1
InChIInChI=1S/C19H21N5O4/c1-26-15-9-5-4-8-14(15)20-19(25)13(18-21-23-24-22-18)11-12-7-6-10-16(27-2)17(12)28-3/h4-10,13H,11H2,1-3H3,(H,20,25)(H,21,22,23,24)/t13-/m0/s1
InChIKeyUUOFXAGDWSDFRV-ZDUSSCGKSA-N
XLogP2.19
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of (2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 1175083) is (2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for (2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for (2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is COc1ccccc1NC(=O)[C@@H](Cc1cccc(OC)c1OC)c1nn[nH]n1.
What is the InChIKey of (2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is UUOFXAGDWSDFRV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-26-15-9-5-4-8-14(15)20-19(25)13(18-21-23-24-22-18)11-12-7-6-10-16(27-2)17(12)28-3/h4-10,13H,11H2,1-3H3,(H,20,25)(H,21,22,23,24)/t13-/m0/s1.
What are the key properties of (2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
(2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 383.41 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 1175083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).