2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide

C16H26N2O2 — CID 78964844

IUPAC2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CN(C)CC(C)(C)O
InChIInChI=1S/C16H26N2O2/c1-13(14-9-7-6-8-10-14)18(5)15(19)11-17(4)12-16(2,3)20/h6-10,13,20H,11-12H2,1-5H3
InChIKeyIAJSSNWWSXDWAQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.91
Rot. Bonds6

About 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide

2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide (PubChem CID 78964844) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
PubChem CID78964844
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CN(C)CC(C)(C)O
InChIInChI=1S/C16H26N2O2/c1-13(14-9-7-6-8-10-14)18(5)15(19)11-17(4)12-16(2,3)20/h6-10,13,20H,11-12H2,1-5H3
InChIKeyIAJSSNWWSXDWAQ-UHFFFAOYSA-N
XLogP1.91
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 111336371
1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol
CID 15518749
2-methyl-4-[methyl(1-phenylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 43579990
N-methyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-N-(1-phenylethyl)acetamide
CID 55572578
2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 9347465
methyl(1-phenylethyl)carbamic acid
CID 67062794
2-[(2-chloro-5-hydroxyphenyl)methyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 139020948
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348198
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 111334205
6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide
CID 65290678
2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid
CID 79387422
N-(2,3-dimethylphenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348322

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide (CID 78964844) is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide is CC(c1ccccc1)N(C)C(=O)CN(C)CC(C)(C)O.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide?
The InChIKey is IAJSSNWWSXDWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(14-9-7-6-8-10-14)18(5)15(19)11-17(4)12-16(2,3)20/h6-10,13,20H,11-12H2,1-5H3.
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide?
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 78964844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).