3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide

C12H15N5O — CID 110720173

IUPAC3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C12H15N5O/c1-8(2)7-11(18)13-10-5-3-9(4-6-10)12-14-16-17-15-12/h3-6,8H,7H2,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyCFOGLFAUJSNMLS-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.85
Rot. Bonds4

About 3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide

3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide (PubChem CID 110720173) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
PubChem CID110720173
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C12H15N5O/c1-8(2)7-11(18)13-10-5-3-9(4-6-10)12-14-16-17-15-12/h3-6,8H,7H2,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyCFOGLFAUJSNMLS-UHFFFAOYSA-N
XLogP1.85
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720232
methyl 4-oxo-4-[4-(2H-tetrazol-5-yl)anilino]butanoate
CID 110720176
4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
CID 97183865
3-methyl-N-[4-[5-[4-(3-methylbutanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]butanamide
CID 132809718
methyl 4-oxo-4-[4-(2H-tetrazol-5-yl)anilino]-2-[4-(trifluoromethyl)phenyl]butanoate
CID 177378649
2-(3-methylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720231
2-[(2S,4S)-2-propan-2-yloxan-4-yl]-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 125137305
3-methyl-N-(2H-tetrazol-5-yl)butanamide
CID 4550448
N-(4-phenylphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487596
2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720239
2-(4-hydroxyphenyl)-N-[2-oxo-2-[4-(2H-tetrazol-5-yl)anilino]ethyl]acetamide
CID 166206540
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide (CID 110720173) is 3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide is CC(C)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide?
The InChIKey is CFOGLFAUJSNMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8(2)7-11(18)13-10-5-3-9(4-6-10)12-14-16-17-15-12/h3-6,8H,7H2,1-2H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide?
3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide has a molecular weight of 245.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 110720173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).