N-[[2-[tert-butyl(methyl)amino]phenyl]methyl]-N-methylacetamide

C15H24N2O — CID 130468385

IUPACN-[[2-[tert-butyl(methyl)amino]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccccc1N(C)C(C)(C)C
InChIInChI=1S/C15H24N2O/c1-12(18)16(5)11-13-9-7-8-10-14(13)17(6)15(2,3)4/h7-10H,11H2,1-6H3
InChIKeyYHBBGIAJXIGVCP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.90
Rot. Bonds3

About N-[[2-[tert-butyl(methyl)amino]phenyl]methyl]-N-methylacetamide

N-[[2-[tert-butyl(methyl)amino]phenyl]methyl]-N-methylacetamide (PubChem CID 130468385) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[2-[tert-butyl(methyl)amino]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[2-[tert-butyl(methyl)amino]phenyl]methyl]-N-methylacetamide
PubChem CID130468385
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[[2-[tert-butyl(methyl)amino]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccccc1N(C)C(C)(C)C
InChIInChI=1S/C15H24N2O/c1-12(18)16(5)11-13-9-7-8-10-14(13)17(6)15(2,3)4/h7-10H,11H2,1-6H3
InChIKeyYHBBGIAJXIGVCP-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide
CID 20593123
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
N-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 62345794
N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide
CID 66409381
N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide
CID 62999124
tert-butyl N-[[2-[bis(benzenesulfonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 25180911
N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide
CID 116500960
N-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide
CID 66789788
[2-[acetyl(methyl)amino]phenyl]methyl acetate
CID 13244169
N-[[5-[[acetyl(methyl)amino]methyl]-2,4-dimethoxyphenyl]methyl]-N-methylacetamide
CID 50941876
N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide
CID 43692065
N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide
CID 43782865

Frequently Asked Questions

What is the IUPAC name of N-[[2-[tert-butyl(methyl)amino]phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[2-[tert-butyl(methyl)amino]phenyl]methyl]-N-methylacetamide (CID 130468385) is N-[[2-[tert-butyl(methyl)amino]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[2-[tert-butyl(methyl)amino]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[2-[tert-butyl(methyl)amino]phenyl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1ccccc1N(C)C(C)(C)C.
What is the InChIKey of N-[[2-[tert-butyl(methyl)amino]phenyl]methyl]-N-methylacetamide?
The InChIKey is YHBBGIAJXIGVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(18)16(5)11-13-9-7-8-10-14(13)17(6)15(2,3)4/h7-10H,11H2,1-6H3.
What are the key properties of N-[[2-[tert-butyl(methyl)amino]phenyl]methyl]-N-methylacetamide?
N-[[2-[tert-butyl(methyl)amino]phenyl]methyl]-N-methylacetamide has a molecular weight of 248.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[tert-butyl(methyl)amino]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 130468385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).