N-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide

C15H22N6O — CID 32974148

IUPACN-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
SMILESCCC(C)(C)NC(=O)CNc1ccc(-n2cnnn2)c(C)c1
InChIInChI=1S/C15H22N6O/c1-5-15(3,4)18-14(22)9-16-12-6-7-13(11(2)8-12)21-10-17-19-20-21/h6-8,10,16H,5,9H2,1-4H3,(H,18,22)
InChIKeyWJAWPNNOJJCDBL-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.69
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide

N-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide (PubChem CID 32974148) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
PubChem CID32974148
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
SMILESCCC(C)(C)NC(=O)CNc1ccc(-n2cnnn2)c(C)c1
InChIInChI=1S/C15H22N6O/c1-5-15(3,4)18-14(22)9-16-12-6-7-13(11(2)8-12)21-10-17-19-20-21/h6-8,10,16H,5,9H2,1-4H3,(H,18,22)
InChIKeyWJAWPNNOJJCDBL-UHFFFAOYSA-N
XLogP1.69
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
CID 95285313
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
N-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
CID 37224623
N-[(1R,2S)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
CID 37224624
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732890
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-methyl-3-(tetrazol-1-yl)anilino]acetamide
CID 33011990
2-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 60672268
3-methyl-4-(tetrazol-1-yl)benzoic acid
CID 16775489
2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate
CID 65173261
N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide
CID 64992502

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide (CID 32974148) is N-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide is CCC(C)(C)NC(=O)CNc1ccc(-n2cnnn2)c(C)c1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide?
The InChIKey is WJAWPNNOJJCDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-5-15(3,4)18-14(22)9-16-12-6-7-13(11(2)8-12)21-10-17-19-20-21/h6-8,10,16H,5,9H2,1-4H3,(H,18,22).
What are the key properties of N-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide?
N-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide is sourced from PubChem (CID 32974148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).