2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide

C26H34N6O4 — CID 3179334

IUPAC2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3ccc(C)cc3C)n2)cc1OC
InChIInChI=1S/C26H34N6O4/c1-17(2)11-12-27-24(33)15-31(21-9-7-18(3)13-19(21)4)25(34)16-32-29-26(28-30-32)20-8-10-22(35-5)23(14-20)36-6/h7-10,13-14,17H,11-12,15-16H2,1-6H3,(H,27,33)
InChIKeyRLTBZLXFKWSDSN-UHFFFAOYSA-N
MW494.60 g/mol
LogP3.17
Rot. Bonds11

About 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide

2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide (PubChem CID 3179334) has the molecular formula C26H34N6O4 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
PubChem CID3179334
Molecular FormulaC26H34N6O4
Molecular Weight494.60 g/mol
Exact Mass494.26
IUPAC Name2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
SMILESCOc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3ccc(C)cc3C)n2)cc1OC
InChIInChI=1S/C26H34N6O4/c1-17(2)11-12-27-24(33)15-31(21-9-7-18(3)13-19(21)4)25(34)16-32-29-26(28-30-32)20-8-10-22(35-5)23(14-20)36-6/h7-10,13-14,17H,11-12,15-16H2,1-6H3,(H,27,33)
InChIKeyRLTBZLXFKWSDSN-UHFFFAOYSA-N
XLogP3.17
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,4-dimethoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-(3-methylbutyl)propanamide
CID 3179411
(2S)-2-[benzyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide
CID 40586564
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9487996
(2R)-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)butanamide
CID 40645572
(2R)-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)propanamide
CID 40586380
(2S)-2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 40586581
2-(N-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-4-ethylanilino)-N-(3-methylbutyl)propanamide
CID 3179394
(2R)-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-(3-methylbutyl)butanamide
CID 40645580
(2R)-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-(3-methylbutyl)propanamide
CID 40586391
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1153910
(2S)-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-(3-methylbutyl)pentanamide
CID 40620338

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide (CID 3179334) is 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide is COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3ccc(C)cc3C)n2)cc1OC.
What is the InChIKey of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide?
The InChIKey is RLTBZLXFKWSDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4/c1-17(2)11-12-27-24(33)15-31(21-9-7-18(3)13-19(21)4)25(34)16-32-29-26(28-30-32)20-8-10-22(35-5)23(14-20)36-6/h7-10,13-14,17H,11-12,15-16H2,1-6H3,(H,27,33).
What are the key properties of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide?
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide has a molecular weight of 494.60 g/mol, XLogP of 3.17, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,4-dimethylphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 3179334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).