(2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide

C18H19N5O3 — CID 1174993

IUPAC(2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1cccc(C[C@@H](C(=O)Nc2ccccc2OC)c2nn[nH]n2)c1
InChIInChI=1S/C18H19N5O3/c1-25-13-7-5-6-12(10-13)11-14(17-20-22-23-21-17)18(24)19-15-8-3-4-9-16(15)26-2/h3-10,14H,11H2,1-2H3,(H,19,24)(H,20,21,22,23)/t14-/m1/s1
InChIKeyRIFRFCWDLJMRNK-CQSZACIVSA-N
MW353.38 g/mol
LogP2.18
Rot. Bonds7

About (2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide

(2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 1174993) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is (2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID1174993
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name(2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1cccc(C[C@@H](C(=O)Nc2ccccc2OC)c2nn[nH]n2)c1
InChIInChI=1S/C18H19N5O3/c1-25-13-7-5-6-12(10-13)11-14(17-20-22-23-21-17)18(24)19-15-8-3-4-9-16(15)26-2/h3-10,14H,11H2,1-2H3,(H,19,24)(H,20,21,22,23)/t14-/m1/s1
InChIKeyRIFRFCWDLJMRNK-CQSZACIVSA-N
XLogP2.18
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3170973
(2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862483
(2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175083
3-(3-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3750555
(2R)-3-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175048
3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide
CID 70114803
(2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175118
3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171026
(2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175113
3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 23800634
N-(2-ethylphenyl)-3-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 5003416
(2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 31100872

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of (2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 1174993) is (2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for (2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for (2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is COc1cccc(C[C@@H](C(=O)Nc2ccccc2OC)c2nn[nH]n2)c1.
What is the InChIKey of (2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is RIFRFCWDLJMRNK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-25-13-7-5-6-12(10-13)11-14(17-20-22-23-21-17)18(24)19-15-8-3-4-9-16(15)26-2/h3-10,14H,11H2,1-2H3,(H,19,24)(H,20,21,22,23)/t14-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
(2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 353.38 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 1174993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).