3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide

C19H21N5O4 — CID 70114803

IUPAC3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide
SMILESCOc1cc(OC)c(NC(=O)C(Cc2ccccc2)c2nn[nH]n2)c(OC)c1
InChIInChI=1S/C19H21N5O4/c1-26-13-10-15(27-2)17(16(11-13)28-3)20-19(25)14(18-21-23-24-22-18)9-12-7-5-4-6-8-12/h4-8,10-11,14H,9H2,1-3H3,(H,20,25)(H,21,22,23,24)
InChIKeyMJJSUSANDPSQNB-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.19
Rot. Bonds8

About 3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide

3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide (PubChem CID 70114803) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide
PubChem CID70114803
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide
SMILESCOc1cc(OC)c(NC(=O)C(Cc2ccccc2)c2nn[nH]n2)c(OC)c1
InChIInChI=1S/C19H21N5O4/c1-26-13-10-15(27-2)17(16(11-13)28-3)20-19(25)14(18-21-23-24-22-18)9-12-7-5-4-6-8-12/h4-8,10-11,14H,9H2,1-3H3,(H,20,25)(H,21,22,23,24)
InChIKeyMJJSUSANDPSQNB-UHFFFAOYSA-N
XLogP2.19
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3170973
(2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1174993
(2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
CID 862580
3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 23800634
(2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862483
(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862468
(2R)-3-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175048
3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171026
(2R)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1174955
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
(2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175118

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide?
The IUPAC name of 3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide (CID 70114803) is 3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide is COc1cc(OC)c(NC(=O)C(Cc2ccccc2)c2nn[nH]n2)c(OC)c1.
What is the InChIKey of 3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide?
The InChIKey is MJJSUSANDPSQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-26-13-10-15(27-2)17(16(11-13)28-3)20-19(25)14(18-21-23-24-22-18)9-12-7-5-4-6-8-12/h4-8,10-11,14H,9H2,1-3H3,(H,20,25)(H,21,22,23,24).
What are the key properties of 3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide?
3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide has a molecular weight of 383.41 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide is sourced from PubChem (CID 70114803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).