N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide

C19H21N5O2 — CID 3603040

IUPACN-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccc(CC(C(=O)Nc2ccc(C)cc2C)c2nn[nH]n2)cc1
InChIInChI=1S/C19H21N5O2/c1-12-4-9-17(13(2)10-12)20-19(25)16(18-21-23-24-22-18)11-14-5-7-15(26-3)8-6-14/h4-10,16H,11H2,1-3H3,(H,20,25)(H,21,22,23,24)
InChIKeyCNDUFYMDOLIOKC-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.79
Rot. Bonds6

About N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide

N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 3603040) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID3603040
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccc(CC(C(=O)Nc2ccc(C)cc2C)c2nn[nH]n2)cc1
InChIInChI=1S/C19H21N5O2/c1-12-4-9-17(13(2)10-12)20-19(25)16(18-21-23-24-22-18)11-14-5-7-15(26-3)8-6-14/h4-10,16H,11H2,1-3H3,(H,20,25)(H,21,22,23,24)
InChIKeyCNDUFYMDOLIOKC-UHFFFAOYSA-N
XLogP2.79
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 23800634
(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862468
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3170973
N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171021
(2R)-N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 6972478
3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3694507
N-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide
CID 23913595
N-(3-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3603044
3-(3-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3750555
3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171026
3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide
CID 70114803
(2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1174993

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 3603040) is N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is COc1ccc(CC(C(=O)Nc2ccc(C)cc2C)c2nn[nH]n2)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is CNDUFYMDOLIOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-4-9-17(13(2)10-12)20-19(25)16(18-21-23-24-22-18)11-14-5-7-15(26-3)8-6-14/h4-10,16H,11H2,1-3H3,(H,20,25)(H,21,22,23,24).
What are the key properties of N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 3603040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).