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

C20H23N5O3 — CID 1175118

IUPAC(2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCCc1ccccc1NC(=O)[C@H](Cc1cc(OC)ccc1OC)c1nn[nH]n1
InChIInChI=1S/C20H23N5O3/c1-4-13-7-5-6-8-17(13)21-20(26)16(19-22-24-25-23-19)12-14-11-15(27-2)9-10-18(14)28-3/h5-11,16H,4,12H2,1-3H3,(H,21,26)(H,22,23,24,25)/t16-/m1/s1
InChIKeyJTLJWFQDQFGLTA-MRXNPFEDSA-N
MW381.44 g/mol
LogP2.74
Rot. Bonds8

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

(2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 1175118) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is (2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID1175118
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name(2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCCc1ccccc1NC(=O)[C@H](Cc1cc(OC)ccc1OC)c1nn[nH]n1
InChIInChI=1S/C20H23N5O3/c1-4-13-7-5-6-8-17(13)21-20(26)16(19-22-24-25-23-19)12-14-11-15(27-2)9-10-18(14)28-3/h5-11,16H,4,12H2,1-3H3,(H,21,26)(H,22,23,24,25)/t16-/m1/s1
InChIKeyJTLJWFQDQFGLTA-MRXNPFEDSA-N
XLogP2.74
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(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
N-(2-ethylphenyl)-3-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 5003416
(2R)-3-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175048
(2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 31100872
3-(2,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171049
(2R)-3-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175120
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
(2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175110
3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3610657
(2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175083

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of (2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 1175118) is (2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for (2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for (2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide is CCc1ccccc1NC(=O)[C@H](Cc1cc(OC)ccc1OC)c1nn[nH]n1.
What is the InChIKey of (2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is JTLJWFQDQFGLTA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-4-13-7-5-6-8-17(13)21-20(26)16(19-22-24-25-23-19)12-14-11-15(27-2)9-10-18(14)28-3/h5-11,16H,4,12H2,1-3H3,(H,21,26)(H,22,23,24,25)/t16-/m1/s1.
What are the key properties of (2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
(2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 381.44 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 1175118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).