3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide

C20H23N5O2 — CID 3453758

IUPAC3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccccc1CC(C(=O)Nc1ccc(C(C)C)cc1)c1nn[nH]n1
InChIInChI=1S/C20H23N5O2/c1-13(2)14-8-10-16(11-9-14)21-20(26)17(19-22-24-25-23-19)12-15-6-4-5-7-18(15)27-3/h4-11,13,17H,12H2,1-3H3,(H,21,26)(H,22,23,24,25)
InChIKeyHVEKTEHEMWTJRC-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.30
Rot. Bonds7

About 3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide

3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 3453758) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID3453758
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccccc1CC(C(=O)Nc1ccc(C(C)C)cc1)c1nn[nH]n1
InChIInChI=1S/C20H23N5O2/c1-13(2)14-8-10-16(11-9-14)21-20(26)17(19-22-24-25-23-19)12-15-6-4-5-7-18(15)27-3/h4-11,13,17H,12H2,1-3H3,(H,21,26)(H,22,23,24,25)
InChIKeyHVEKTEHEMWTJRC-UHFFFAOYSA-N
XLogP3.30
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-3-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 5003416
3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171040
(2R)-3-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175120
(2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862525
3-(2,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171049
(2S)-3-(2,3-dimethoxyphenyl)-N-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175083
3-(2,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3881623
(2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
CID 862580
(2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175118
(2R)-3-(2,3-dimethoxyphenyl)-N-(3-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175088
(2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862483
3-(2,3-dimethoxyphenyl)-N-(2-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3694485

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 3453758) is 3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide is COc1ccccc1CC(C(=O)Nc1ccc(C(C)C)cc1)c1nn[nH]n1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is HVEKTEHEMWTJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13(2)14-8-10-16(11-9-14)21-20(26)17(19-22-24-25-23-19)12-15-6-4-5-7-18(15)27-3/h4-11,13,17H,12H2,1-3H3,(H,21,26)(H,22,23,24,25).
What are the key properties of 3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 365.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 3453758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).