N-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide

C19H24N2O — CID 146176829

IUPACN-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)C(CN)c2ccccc2)cc1C
InChIInChI=1S/C19H24N2O/c1-14-9-10-16(11-15(14)2)12-19(22)21(3)18(13-20)17-7-5-4-6-8-17/h4-11,18H,12-13,20H2,1-3H3
InChIKeyOGHHKWAAWHHXBR-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.00
Rot. Bonds5

About N-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide

N-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide (PubChem CID 146176829) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
PubChem CID146176829
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)C(CN)c2ccccc2)cc1C
InChIInChI=1S/C19H24N2O/c1-14-9-10-16(11-15(14)2)12-19(22)21(3)18(13-20)17-7-5-4-6-8-17/h4-11,18H,12-13,20H2,1-3H3
InChIKeyOGHHKWAAWHHXBR-UHFFFAOYSA-N
XLogP3.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 8918889
N-[(1S)-2-amino-1-phenylethyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 121348065
2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 138739466
N-(1-chloropropan-2-yl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 104555801
4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one
CID 116553095
5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one
CID 116570888
N-methyl-2-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 118927562
2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid
CID 110834445
2-(3,4-dichlorophenyl)-N-[2-(3,4-dihydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide
CID 123194811
2-(4-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 10452010
N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide
CID 2103734
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
The IUPAC name of N-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide (CID 146176829) is N-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide is Cc1ccc(CC(=O)N(C)C(CN)c2ccccc2)cc1C.
What is the InChIKey of N-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
The InChIKey is OGHHKWAAWHHXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14-9-10-16(11-15(14)2)12-19(22)21(3)18(13-20)17-7-5-4-6-8-17/h4-11,18H,12-13,20H2,1-3H3.
What are the key properties of N-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
N-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide has a molecular weight of 296.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 146176829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).