3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide

C12H16N6O — CID 115426234

IUPAC3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
SMILESCC(C)(CN)C(=O)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C12H16N6O/c1-12(2,7-13)11(19)15-9-5-3-4-6-10(9)18-8-14-16-17-18/h3-6,8H,7,13H2,1-2H3,(H,15,19)
InChIKeyFSWPQKYOLDOYDN-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.59
Rot. Bonds4

About 3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide

3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 115426234) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
PubChem CID115426234
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
SMILESCC(C)(CN)C(=O)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C12H16N6O/c1-12(2,7-13)11(19)15-9-5-3-4-6-10(9)18-8-14-16-17-18/h3-6,8H,7,13H2,1-2H3,(H,15,19)
InChIKeyFSWPQKYOLDOYDN-UHFFFAOYSA-N
XLogP0.59
TPSA98.72 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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 79789723
2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 43698693
(2R)-2-amino-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 54995832
3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55110809
5-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 82011021
(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 61180779
2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 43706192
[2-(tetrazol-1-yl)phenyl]thiourea
CID 169356429
3-chloro-2,2-dimethyl-N-[2-(triazol-1-yl)phenyl]propanamide
CID 63678665
3-(ethylamino)-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55121620
(2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide
CID 107144063
2-(2-methoxyethylamino)-N-[2-(tetrazol-1-yl)phenyl]acetamide
CID 79282051

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide (CID 115426234) is 3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide is CC(C)(CN)C(=O)Nc1ccccc1-n1cnnn1.
What is the InChIKey of 3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is FSWPQKYOLDOYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-12(2,7-13)11(19)15-9-5-3-4-6-10(9)18-8-14-16-17-18/h3-6,8H,7,13H2,1-2H3,(H,15,19).
What are the key properties of 3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide?
3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 260.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 115426234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).