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

C19H21N5O3 — CID 1175113

IUPAC(2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccc(OC)c(C[C@H](C(=O)Nc2ccccc2C)c2nn[nH]n2)c1
InChIInChI=1S/C19H21N5O3/c1-12-6-4-5-7-16(12)20-19(25)15(18-21-23-24-22-18)11-13-10-14(26-2)8-9-17(13)27-3/h4-10,15H,11H2,1-3H3,(H,20,25)(H,21,22,23,24)/t15-/m0/s1
InChIKeyVCCFPBSDVCDUCL-HNNXBMFYSA-N
MW367.41 g/mol
LogP2.49
Rot. Bonds7

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

(2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 1175113) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is (2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID1175113
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name(2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccc(OC)c(C[C@H](C(=O)Nc2ccccc2C)c2nn[nH]n2)c1
InChIInChI=1S/C19H21N5O3/c1-12-6-4-5-7-16(12)20-19(25)15(18-21-23-24-22-18)11-13-10-14(26-2)8-9-17(13)27-3/h4-10,15H,11H2,1-3H3,(H,20,25)(H,21,22,23,24)/t15-/m0/s1
InChIKeyVCCFPBSDVCDUCL-HNNXBMFYSA-N
XLogP2.49
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175118
(2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 7289597
3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 23800634
(2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 31100872
(2R)-3-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175120
3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3694507
3-(2,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171049
N-(2-ethylphenyl)-3-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 5003416
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3170973
3-(2,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3881623
(2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1174993
(2R)-3-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175048

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of (2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 1175113) is (2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for (2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for (2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide is COc1ccc(OC)c(C[C@H](C(=O)Nc2ccccc2C)c2nn[nH]n2)c1.
What is the InChIKey of (2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is VCCFPBSDVCDUCL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-6-4-5-7-16(12)20-19(25)15(18-21-23-24-22-18)11-13-10-14(26-2)8-9-17(13)27-3/h4-10,15H,11H2,1-3H3,(H,20,25)(H,21,22,23,24)/t15-/m0/s1.
What are the key properties of (2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
(2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 367.41 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 1175113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).