2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide

C12H16N6O — CID 62836405

IUPAC2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide
SMILESCNC(C)(C)C(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H16N6O/c1-12(2,13-3)11(19)15-9-5-4-6-10(7-9)18-8-14-16-17-18/h4-8,13H,1-3H3,(H,15,19)
InChIKeyISPLBSYDMRKENH-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.60
Rot. Bonds4

About 2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide

2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 62836405) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide
PubChem CID62836405
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide
SMILESCNC(C)(C)C(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H16N6O/c1-12(2,13-3)11(19)15-9-5-4-6-10(7-9)18-8-14-16-17-18/h4-8,13H,1-3H3,(H,15,19)
InChIKeyISPLBSYDMRKENH-UHFFFAOYSA-N
XLogP0.60
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217
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(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
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N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
2,2-diphenyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7694180
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 47418203
4-methyl-N-[3-(tetrazol-1-yl)phenyl]thiadiazole-5-carboxamide
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1-cyclopentyl-3-[3-(tetrazol-1-yl)phenyl]urea
CID 47199011

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide (CID 62836405) is 2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide is CNC(C)(C)C(=O)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is ISPLBSYDMRKENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-12(2,13-3)11(19)15-9-5-4-6-10(7-9)18-8-14-16-17-18/h4-8,13H,1-3H3,(H,15,19).
What are the key properties of 2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide?
2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 260.30 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-N-[3-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 62836405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).