N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

C20H24N6O2 — CID 55630277

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2ccc(-n3cnnn3)cc2)N(C)C)cc1
InChIInChI=1S/C20H24N6O2/c1-25(2)19(16-6-10-18(28-3)11-7-16)13-21-20(27)12-15-4-8-17(9-5-15)26-14-22-23-24-26/h4-11,14,19H,12-13H2,1-3H3,(H,21,27)
InChIKeyHMWKBHKEWXEHFS-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.63
Rot. Bonds8

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 55630277) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID55630277
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2ccc(-n3cnnn3)cc2)N(C)C)cc1
InChIInChI=1S/C20H24N6O2/c1-25(2)19(16-6-10-18(28-3)11-7-16)13-21-20(27)12-15-4-8-17(9-5-15)26-14-22-23-24-26/h4-11,14,19H,12-13H2,1-3H3,(H,21,27)
InChIKeyHMWKBHKEWXEHFS-UHFFFAOYSA-N
XLogP1.63
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110621112
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 43072645
[4-(tetrazol-1-yl)phenyl] 4-methoxybenzoate
CID 20896810
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 3564631
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 2129227
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864
N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119433233
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55656209
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 75358387

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 55630277) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is COc1ccc(C(CNC(=O)Cc2ccc(-n3cnnn3)cc2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is HMWKBHKEWXEHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-25(2)19(16-6-10-18(28-3)11-7-16)13-21-20(27)12-15-4-8-17(9-5-15)26-14-22-23-24-26/h4-11,14,19H,12-13H2,1-3H3,(H,21,27).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55630277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).