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

C21H26N6O4 — CID 648211

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)Cn1nnc(-c2ccc(C)o2)n1
InChIInChI=1S/C21H26N6O4/c1-14-10-11-17(31-14)20-23-25-27(24-20)13-19(29)26(12-18(28)22-21(2,3)4)15-8-6-7-9-16(15)30-5/h6-11H,12-13H2,1-5H3,(H,22,28)
InChIKeyJQULRSFRGAXTQM-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.20
Rot. Bonds7

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

N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (PubChem CID 648211) has the molecular formula C21H26N6O4 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
PubChem CID648211
Molecular FormulaC21H26N6O4
Molecular Weight426.48 g/mol
Exact Mass426.20
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide
SMILESCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)Cn1nnc(-c2ccc(C)o2)n1
InChIInChI=1S/C21H26N6O4/c1-14-10-11-17(31-14)20-23-25-27(24-20)13-19(29)26(12-18(28)22-21(2,3)4)15-8-6-7-9-16(15)30-5/h6-11H,12-13H2,1-5H3,(H,22,28)
InChIKeyJQULRSFRGAXTQM-UHFFFAOYSA-N
XLogP2.20
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(2-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-2H-tetrazol-5-yl)-phenyl]-4-methoxy-benzamide
CID 644789
2-((2-Methoxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-pentanoic acid cyclopentylamide
CID 647713
N-(Benzylcarbamoyl-methyl)-N-(2,3-dimethyl-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 649774
N-(3-Chloro-4-fluoro-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 651258
Furan-2-carboxylic acid (2-{2-[(2-methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-amide
CID 654743
N-Cyclopentyl-2-furan-2-yl-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-phenyl-amino)-acetamide
CID 655204
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1153911
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1153917
N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide
CID 1440069
N-tert-Butyl-2-((4-fluoro-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 3179107
N-(3-Chloro-4-fluoro-phenyl)-N-cyclopentylcarbamoylmethyl-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3179786
N-Cyclopentylcarbamoylmethyl-N-(4-methoxy-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3179795

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide (CID 648211) is N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is COc1ccccc1N(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-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
The InChIKey is JQULRSFRGAXTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4/c1-14-10-11-17(31-14)20-23-25-27(24-20)13-19(29)26(12-18(28)22-21(2,3)4)15-8-6-7-9-16(15)30-5/h6-11H,12-13H2,1-5H3,(H,22,28).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide has a molecular weight of 426.48 g/mol, XLogP of 2.20, 7 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-methoxyphenyl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 648211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).