N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

C15H21N5O — CID 55656209

IUPACN-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCC(C)(C)CCNC(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H21N5O/c1-15(2,3)8-9-16-14(21)10-12-4-6-13(7-5-12)20-11-17-18-19-20/h4-7,11H,8-10H2,1-3H3,(H,16,21)
InChIKeyICGZRDCGCINDQZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.76
Rot. Bonds5

About N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 55656209) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID55656209
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCC(C)(C)CCNC(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H21N5O/c1-15(2,3)8-9-16-14(21)10-12-4-6-13(7-5-12)20-11-17-18-19-20/h4-7,11H,8-10H2,1-3H3,(H,16,21)
InChIKeyICGZRDCGCINDQZ-UHFFFAOYSA-N
XLogP1.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119433233
N-[2-(2-fluorophenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601437
2-[4-(tetrazol-1-yl)phenyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 55600639
4-(tetrazol-1-yl)-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 34395340
N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
CID 65109439
2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 55601487
N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119453289
2-[4-(tetrazol-1-yl)phenyl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
CID 55632694
2-(3,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18079837
N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52852200
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55631991
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55847022

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 55656209) is N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide is CC(C)(C)CCNC(=O)Cc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is ICGZRDCGCINDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-15(2,3)8-9-16-14(21)10-12-4-6-13(7-5-12)20-11-17-18-19-20/h4-7,11H,8-10H2,1-3H3,(H,16,21).
What are the key properties of N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 287.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55656209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).