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

C20H23N5O4 — CID 1175088

IUPAC(2R)-3-(2,3-dimethoxyphenyl)-N-(3-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCCOc1cccc(NC(=O)[C@H](Cc2cccc(OC)c2OC)c2nn[nH]n2)c1
InChIInChI=1S/C20H23N5O4/c1-4-29-15-9-6-8-14(12-15)21-20(26)16(19-22-24-25-23-19)11-13-7-5-10-17(27-2)18(13)28-3/h5-10,12,16H,4,11H2,1-3H3,(H,21,26)(H,22,23,24,25)/t16-/m1/s1
InChIKeyCVPPDKSSBHAWHV-MRXNPFEDSA-N
MW397.44 g/mol
LogP2.58
Rot. Bonds9

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

(2R)-3-(2,3-dimethoxyphenyl)-N-(3-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 1175088) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is (2R)-3-(2,3-dimethoxyphenyl)-N-(3-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-3-(2,3-dimethoxyphenyl)-N-(3-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID1175088
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name(2R)-3-(2,3-dimethoxyphenyl)-N-(3-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCCOc1cccc(NC(=O)[C@H](Cc2cccc(OC)c2OC)c2nn[nH]n2)c1
InChIInChI=1S/C20H23N5O4/c1-4-29-15-9-6-8-14(12-15)21-20(26)16(19-22-24-25-23-19)11-13-7-5-10-17(27-2)18(13)28-3/h5-10,12,16H,4,11H2,1-3H3,(H,21,26)(H,22,23,24,25)/t16-/m1/s1
InChIKeyCVPPDKSSBHAWHV-MRXNPFEDSA-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

3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171040
3-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3694485
(2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 31100872
(2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175083
3-(2,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171049
3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171026
(2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175110
3-(2,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3881623
3-(3-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3750555
(2R)-3-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175120
N-(2-ethylphenyl)-3-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 5003416
3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3453758

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,3-dimethoxyphenyl)-N-(3-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of (2R)-3-(2,3-dimethoxyphenyl)-N-(3-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 1175088) is (2R)-3-(2,3-dimethoxyphenyl)-N-(3-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for (2R)-3-(2,3-dimethoxyphenyl)-N-(3-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for (2R)-3-(2,3-dimethoxyphenyl)-N-(3-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is CCOc1cccc(NC(=O)[C@H](Cc2cccc(OC)c2OC)c2nn[nH]n2)c1.
What is the InChIKey of (2R)-3-(2,3-dimethoxyphenyl)-N-(3-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is CVPPDKSSBHAWHV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-4-29-15-9-6-8-14(12-15)21-20(26)16(19-22-24-25-23-19)11-13-7-5-10-17(27-2)18(13)28-3/h5-10,12,16H,4,11H2,1-3H3,(H,21,26)(H,22,23,24,25)/t16-/m1/s1.
What are the key properties of (2R)-3-(2,3-dimethoxyphenyl)-N-(3-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
(2R)-3-(2,3-dimethoxyphenyl)-N-(3-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 (2R)-3-(2,3-dimethoxyphenyl)-N-(3-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 1175088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).