2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide

C20H24N6O — CID 46996075

IUPAC2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide
SMILESCc1ccccc1-n1nnnc1C(c1ccccc1)N(C)C(=O)CN(C)C
InChIInChI=1S/C20H24N6O/c1-15-10-8-9-13-17(15)26-20(21-22-23-26)19(16-11-6-5-7-12-16)25(4)18(27)14-24(2)3/h5-13,19H,14H2,1-4H3
InChIKeyJWOAHSSMPZQUGF-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.08
Rot. Bonds6

About 2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide

2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide (PubChem CID 46996075) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide
PubChem CID46996075
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide
SMILESCc1ccccc1-n1nnnc1C(c1ccccc1)N(C)C(=O)CN(C)C
InChIInChI=1S/C20H24N6O/c1-15-10-8-9-13-17(15)26-20(21-22-23-26)19(16-11-6-5-7-12-16)25(4)18(27)14-24(2)3/h5-13,19H,14H2,1-4H3
InChIKeyJWOAHSSMPZQUGF-UHFFFAOYSA-N
XLogP2.08
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide
CID 46999614
(1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 7463822
(1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine
CID 7463843
N-benzhydryl-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 26643650
3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide
CID 45206144
3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(R)-[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide
CID 42482787
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 2867834
N-[(3-chlorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 2867833
N-[(3,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 2867852
4-bromo-2-methoxy-6-[[methyl-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]amino]methyl]phenol
CID 2867862
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 27015628
N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]ethanamine
CID 103084956

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide (CID 46996075) is 2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide is Cc1ccccc1-n1nnnc1C(c1ccccc1)N(C)C(=O)CN(C)C.
What is the InChIKey of 2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide?
The InChIKey is JWOAHSSMPZQUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-15-10-8-9-13-17(15)26-20(21-22-23-26)19(16-11-6-5-7-12-16)25(4)18(27)14-24(2)3/h5-13,19H,14H2,1-4H3.
What are the key properties of 2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide?
2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide is sourced from PubChem (CID 46996075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).