N-[[4-(dimethylamino)phenyl]-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylacetamide

C21H26N6O — CID 15945663

IUPACN-[[4-(dimethylamino)phenyl]-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)C(c1ccc(N(C)C)cc1)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C21H26N6O/c1-14-8-7-9-15(2)19(14)27-21(22-23-24-27)20(26(6)16(3)28)17-10-12-18(13-11-17)25(4)5/h7-13,20H,1-6H3
InChIKeyGZGLRVHTXGNYOZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.91
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylacetamide

N-[[4-(dimethylamino)phenyl]-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylacetamide (PubChem CID 15945663) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylacetamide
PubChem CID15945663
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-[[4-(dimethylamino)phenyl]-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)C(c1ccc(N(C)C)cc1)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C21H26N6O/c1-14-8-7-9-15(2)19(14)27-21(22-23-24-27)20(26(6)16(3)28)17-10-12-18(13-11-17)25(4)5/h7-13,20H,1-6H3
InChIKeyGZGLRVHTXGNYOZ-UHFFFAOYSA-N
XLogP2.91
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-{[(1-Benzyl-1H-tetrazol-5-ylmethyl)-cyclopentyl-amino]-methyl}-6-methyl-1H-quinolin-2-one
CID 652741
3-{[Benzyl-(1-cyclopentyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6-methyl-1H-quinolin-2-one
CID 653073
3-{(3,4-Dihydro-2H-quinolin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-6-methyl-1H-quinolin-2-one
CID 3182522
N-{(2-chlorophenyl)[1-(2,6-dimethylphenyl)-1H-tetraazol-5-yl]methyl}-N-methylpropanamide
CID 4689284
Dimethyl-{4-[2-(1-phenyl-1H-tetrazol-5-yl)-vinyl]-phenyl}-amine
CID 5749675
1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360405
1-[cyclopropyl-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360407
1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360422
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-5-methyl-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 53300746
1-[2-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]propan-2-yl]-4-nitrosopiperazine
CID 3312555
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-phenylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 11698380
Propanamide, N,N-diethyl-3-(((1-(4-ethylphenyl)-1H-tetrazol-5-yl)methyl)thio)-
CID 3062262

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylacetamide (CID 15945663) is N-[[4-(dimethylamino)phenyl]-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylacetamide is CC(=O)N(C)C(c1ccc(N(C)C)cc1)c1nnnn1-c1c(C)cccc1C.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylacetamide?
The InChIKey is GZGLRVHTXGNYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14-8-7-9-15(2)19(14)27-21(22-23-24-27)20(26(6)16(3)28)17-10-12-18(13-11-17)25(4)5/h7-13,20H,1-6H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylacetamide?
N-[[4-(dimethylamino)phenyl]-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylacetamide has a molecular weight of 378.48 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 15945663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).