N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide

C19H22N6O — CID 7335945

IUPACN-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide
SMILESCC[C@](C)(c1nnnn1-c1c(C)cccc1C)N(N=O)c1ccccc1
InChIInChI=1S/C19H22N6O/c1-5-19(4,25(23-26)16-12-7-6-8-13-16)18-20-21-22-24(18)17-14(2)10-9-11-15(17)3/h6-13H,5H2,1-4H3/t19-/m1/s1
InChIKeyBRPNLWHJOYRPDW-LJQANCHMSA-N
MW350.43 g/mol
LogP4.09
Rot. Bonds6

About N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide

N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide (PubChem CID 7335945) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide.

Molecular Properties

Compound NameN-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide
PubChem CID7335945
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide
SMILESCC[C@](C)(c1nnnn1-c1c(C)cccc1C)N(N=O)c1ccccc1
InChIInChI=1S/C19H22N6O/c1-5-19(4,25(23-26)16-12-7-6-8-13-16)18-20-21-22-24(18)17-14(2)10-9-11-15(17)3/h6-13H,5H2,1-4H3/t19-/m1/s1
InChIKeyBRPNLWHJOYRPDW-LJQANCHMSA-N
XLogP4.09
TPSA76.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide 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

(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine
CID 7345033
N,N-dibenzyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propan-2-amine
CID 3115374
4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine
CID 51695117
N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]propanamide
CID 99641717
4-chloro-N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]aniline
CID 4312416
2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide
CID 171981923
4-bromo-N-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]aniline
CID 98384187
2-[4-tert-butyl-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]-1,1-diphenylhydrazine
CID 11836199
N-[2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-4-ethoxyaniline
CID 3559515
N-[(2S)-2-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]butan-2-yl]-2-methoxyaniline
CID 51697986
[1-(2,6-dimethylphenyl)tetrazol-5-yl]methanamine
CID 62736812
ethyl 5-[[[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]amino]methyl]furan-2-carboxylate
CID 7291012

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide?
The IUPAC name of N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide (CID 7335945) is N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide.
What is the SMILES notation for N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide?
The canonical SMILES for N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide is CC[C@](C)(c1nnnn1-c1c(C)cccc1C)N(N=O)c1ccccc1.
What is the InChIKey of N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide?
The InChIKey is BRPNLWHJOYRPDW-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N6O/c1-5-19(4,25(23-26)16-12-7-6-8-13-16)18-20-21-22-24(18)17-14(2)10-9-11-15(17)3/h6-13H,5H2,1-4H3/t19-/m1/s1.
What are the key properties of N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide?
N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide has a molecular weight of 350.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]-N-phenylnitrous amide is sourced from PubChem (CID 7335945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).