(2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide

C20H23N5O5 — CID 1175110

IUPAC(2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccc(C[C@H](C(=O)Nc2ccc(OC)c(OC)c2)c2nn[nH]n2)c(OC)c1
InChIInChI=1S/C20H23N5O5/c1-27-14-7-5-12(17(11-14)29-3)9-15(19-22-24-25-23-19)20(26)21-13-6-8-16(28-2)18(10-13)30-4/h5-8,10-11,15H,9H2,1-4H3,(H,21,26)(H,22,23,24,25)/t15-/m0/s1
InChIKeySMPAQAFVMNTPTK-HNNXBMFYSA-N
MW413.43 g/mol
LogP2.20
Rot. Bonds9

About (2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide

(2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 1175110) has the molecular formula C20H23N5O5 and a molecular weight of 413.43 g/mol. Its IUPAC name is (2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID1175110
Molecular FormulaC20H23N5O5
Molecular Weight413.43 g/mol
Exact Mass413.17
IUPAC Name(2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccc(C[C@H](C(=O)Nc2ccc(OC)c(OC)c2)c2nn[nH]n2)c(OC)c1
InChIInChI=1S/C20H23N5O5/c1-27-14-7-5-12(17(11-14)29-3)9-15(19-22-24-25-23-19)20(26)21-13-6-8-16(28-2)18(10-13)30-4/h5-8,10-11,15H,9H2,1-4H3,(H,21,26)(H,22,23,24,25)/t15-/m0/s1
InChIKeySMPAQAFVMNTPTK-HNNXBMFYSA-N
XLogP2.20
TPSA120.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3881623
3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3610657
(2R)-3-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175120
(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
3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3694507
(2R)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1174955
3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171040
(2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175118
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of (2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 1175110) is (2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for (2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for (2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is COc1ccc(C[C@H](C(=O)Nc2ccc(OC)c(OC)c2)c2nn[nH]n2)c(OC)c1.
What is the InChIKey of (2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is SMPAQAFVMNTPTK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N5O5/c1-27-14-7-5-12(17(11-14)29-3)9-15(19-22-24-25-23-19)20(26)21-13-6-8-16(28-2)18(10-13)30-4/h5-8,10-11,15H,9H2,1-4H3,(H,21,26)(H,22,23,24,25)/t15-/m0/s1.
What are the key properties of (2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
(2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 413.43 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 1175110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).