3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(tetrazolidin-5-yl)propanamide

C20H27N5O3 — CID 53460566

IUPAC3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(tetrazolidin-5-yl)propanamide
SMILESCCc1ccc(NC(=O)C(Cc2ccc(OC)cc2OC)C2NNNN2)cc1
InChIInChI=1S/C20H27N5O3/c1-4-13-5-8-15(9-6-13)21-20(26)17(19-22-24-25-23-19)11-14-7-10-16(27-2)12-18(14)28-3/h5-10,12,17,19,22-25H,4,11H2,1-3H3,(H,21,26)
InChIKeyDPEZWMSCRPJYHY-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.51
Rot. Bonds8

About 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(tetrazolidin-5-yl)propanamide

3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(tetrazolidin-5-yl)propanamide (PubChem CID 53460566) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(tetrazolidin-5-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(tetrazolidin-5-yl)propanamide
PubChem CID53460566
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(tetrazolidin-5-yl)propanamide
SMILESCCc1ccc(NC(=O)C(Cc2ccc(OC)cc2OC)C2NNNN2)cc1
InChIInChI=1S/C20H27N5O3/c1-4-13-5-8-15(9-6-13)21-20(26)17(19-22-24-25-23-19)11-14-7-10-16(27-2)12-18(14)28-3/h5-10,12,17,19,22-25H,4,11H2,1-3H3,(H,21,26)
InChIKeyDPEZWMSCRPJYHY-UHFFFAOYSA-N
XLogP1.51
TPSA95.68 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3610657
(2S)-3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 6972561
2-(2,4-dimethoxyphenyl)-N-[4-(methoxymethyl)phenyl]acetamide;ethane
CID 143433309
2-[4-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-N-propan-2-ylacetamide
CID 55610566
(2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175110
N-(2,4-dimethoxyphenyl)-2-(4-ethylphenoxy)butanamide
CID 132652445
3-(2,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3881623
2-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)acetamide
CID 9400761
N-(2,5-dimethoxyphenyl)-2-(4-ethylanilino)propanamide
CID 51178496
2-(2,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)acetamide
CID 9400826
methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704975
2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 51332897

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(tetrazolidin-5-yl)propanamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(tetrazolidin-5-yl)propanamide (CID 53460566) is 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(tetrazolidin-5-yl)propanamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(tetrazolidin-5-yl)propanamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(tetrazolidin-5-yl)propanamide is CCc1ccc(NC(=O)C(Cc2ccc(OC)cc2OC)C2NNNN2)cc1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(tetrazolidin-5-yl)propanamide?
The InChIKey is DPEZWMSCRPJYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-4-13-5-8-15(9-6-13)21-20(26)17(19-22-24-25-23-19)11-14-7-10-16(27-2)12-18(14)28-3/h5-10,12,17,19,22-25H,4,11H2,1-3H3,(H,21,26).
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(tetrazolidin-5-yl)propanamide?
3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(tetrazolidin-5-yl)propanamide has a molecular weight of 385.47 g/mol, XLogP of 1.51, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(tetrazolidin-5-yl)propanamide is sourced from PubChem (CID 53460566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).