N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide

C21H28N2O2 — CID 134057259

IUPACN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide
SMILESCOc1ccccc1C(CNC(=O)C(C)(C)c1ccccc1)N(C)C
InChIInChI=1S/C21H28N2O2/c1-21(2,16-11-7-6-8-12-16)20(24)22-15-18(23(3)4)17-13-9-10-14-19(17)25-5/h6-14,18H,15H2,1-5H3,(H,22,24)
InChIKeyZSYPLGCDEWTOPR-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.39
Rot. Bonds7

About N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide

N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide (PubChem CID 134057259) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide
PubChem CID134057259
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide
SMILESCOc1ccccc1C(CNC(=O)C(C)(C)c1ccccc1)N(C)C
InChIInChI=1S/C21H28N2O2/c1-21(2,16-11-7-6-8-12-16)20(24)22-15-18(23(3)4)17-13-9-10-14-19(17)25-5/h6-14,18H,15H2,1-5H3,(H,22,24)
InChIKeyZSYPLGCDEWTOPR-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31322515
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226
1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24664488
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 78799517
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55350130
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 55628559
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55787131
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]thiophene-2-carboxamide;hydrochloride
CID 52985337
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 55350071
1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 41036483
2-(diethylamino)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-phenylacetamide
CID 56538316

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide (CID 134057259) is N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide is COc1ccccc1C(CNC(=O)C(C)(C)c1ccccc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide?
The InChIKey is ZSYPLGCDEWTOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-21(2,16-11-7-6-8-12-16)20(24)22-15-18(23(3)4)17-13-9-10-14-19(17)25-5/h6-14,18H,15H2,1-5H3,(H,22,24).
What are the key properties of N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide?
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide has a molecular weight of 340.47 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 134057259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).