N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-ethoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

C22H28N6O4 — CID 647676

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-(2-ethoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)Cn1nnc(-c2ccc(C)o2)n1
InChIInChI=1S/C22H28N6O4/c1-6-31-17-10-8-7-9-16(17)27(13-19(29)23-22(3,4)5)20(30)14-28-25-21(24-26-28)18-12-11-15(2)32-18/h7-12H,6,13-14H2,1-5H3,(H,23,29)
InChIKeyMWRILPJPXCICPI-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.59
Rot. Bonds8

About N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-ethoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-ethoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (PubChem CID 647676) has the molecular formula C22H28N6O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-ethoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-(2-ethoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
PubChem CID647676
Molecular FormulaC22H28N6O4
Molecular Weight440.50 g/mol
Exact Mass440.22
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-(2-ethoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)Cn1nnc(-c2ccc(C)o2)n1
InChIInChI=1S/C22H28N6O4/c1-6-31-17-10-8-7-9-16(17)27(13-19(29)23-22(3,4)5)20(30)14-28-25-21(24-26-28)18-12-11-15(2)32-18/h7-12H,6,13-14H2,1-5H3,(H,23,29)
InChIKeyMWRILPJPXCICPI-UHFFFAOYSA-N
XLogP2.59
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-ethoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-ethoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (CID 647676) is N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-ethoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-ethoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-ethoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is CCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)Cn1nnc(-c2ccc(C)o2)n1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-ethoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The InChIKey is MWRILPJPXCICPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4/c1-6-31-17-10-8-7-9-16(17)27(13-19(29)23-22(3,4)5)20(30)14-28-25-21(24-26-28)18-12-11-15(2)32-18/h7-12H,6,13-14H2,1-5H3,(H,23,29).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-ethoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-ethoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide has a molecular weight of 440.50 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-ethoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 647676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).