(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide

C18H19N5O2 — CID 862468

IUPAC(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccc(C[C@H](C(=O)Nc2cccc(C)c2)c2nn[nH]n2)cc1
InChIInChI=1S/C18H19N5O2/c1-12-4-3-5-14(10-12)19-18(24)16(17-20-22-23-21-17)11-13-6-8-15(25-2)9-7-13/h3-10,16H,11H2,1-2H3,(H,19,24)(H,20,21,22,23)/t16-/m0/s1
InChIKeyHHXWOHDVYRLLSH-INIZCTEOSA-N
MW337.38 g/mol
LogP2.48
Rot. Bonds6

About (2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide

(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 862468) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID862468
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccc(C[C@H](C(=O)Nc2cccc(C)c2)c2nn[nH]n2)cc1
InChIInChI=1S/C18H19N5O2/c1-12-4-3-5-14(10-12)19-18(24)16(17-20-22-23-21-17)11-13-6-8-15(25-2)9-7-13/h3-10,16H,11H2,1-2H3,(H,19,24)(H,20,21,22,23)/t16-/m0/s1
InChIKeyHHXWOHDVYRLLSH-INIZCTEOSA-N
XLogP2.48
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3750555
N-(3-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3603044
3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171026
3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
CID 3170996
3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 23800634
(2R)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1174955
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3170973
(2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 31100872
(2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862483
(2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862525
3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171040
(2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
CID 862580

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of (2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 862468) is (2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for (2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for (2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide is COc1ccc(C[C@H](C(=O)Nc2cccc(C)c2)c2nn[nH]n2)cc1.
What is the InChIKey of (2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is HHXWOHDVYRLLSH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-4-3-5-14(10-12)19-18(24)16(17-20-22-23-21-17)11-13-6-8-15(25-2)9-7-13/h3-10,16H,11H2,1-2H3,(H,19,24)(H,20,21,22,23)/t16-/m0/s1.
What are the key properties of (2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 337.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 862468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).