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

C20H23N5O — CID 3171021

IUPACN-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCCc1ccc(CC(C(=O)Nc2cc(C)ccc2C)c2nn[nH]n2)cc1
InChIInChI=1S/C20H23N5O/c1-4-15-7-9-16(10-8-15)12-17(19-22-24-25-23-19)20(26)21-18-11-13(2)5-6-14(18)3/h5-11,17H,4,12H2,1-3H3,(H,21,26)(H,22,23,24,25)
InChIKeyKSBUWVAZFZYCNP-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.34
Rot. Bonds6

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

N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 3171021) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID3171021
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCCc1ccc(CC(C(=O)Nc2cc(C)ccc2C)c2nn[nH]n2)cc1
InChIInChI=1S/C20H23N5O/c1-4-15-7-9-16(10-8-15)12-17(19-22-24-25-23-19)20(26)21-18-11-13(2)5-6-14(18)3/h5-11,17H,4,12H2,1-3H3,(H,21,26)(H,22,23,24,25)
InChIKeyKSBUWVAZFZYCNP-UHFFFAOYSA-N
XLogP3.34
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3694507
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
N-(2,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)-3-thiophen-2-ylpropanamide
CID 23913595
3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
CID 3170996
N-(2-fluorophenyl)-3-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 23800637
(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide
CID 99133056
3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3610657
N-(2-ethylphenyl)-3-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 5003416
N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 4681901
(2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175113
(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylanilino)-2-phenylacetamide
CID 7928697

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 3171021) is N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide is CCc1ccc(CC(C(=O)Nc2cc(C)ccc2C)c2nn[nH]n2)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is KSBUWVAZFZYCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-4-15-7-9-16(10-8-15)12-17(19-22-24-25-23-19)20(26)21-18-11-13(2)5-6-14(18)3/h5-11,17H,4,12H2,1-3H3,(H,21,26)(H,22,23,24,25).
What are the key properties of N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 349.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 3171021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).