N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide

C15H24N2O2 — CID 116500960

IUPACN-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide
SMILESCOCC(C)CNc1ccccc1CN(C)C(C)=O
InChIInChI=1S/C15H24N2O2/c1-12(11-19-4)9-16-15-8-6-5-7-14(15)10-17(3)13(2)18/h5-8,12,16H,9-11H2,1-4H3
InChIKeyOKRJGSJYYLXVBE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.36
Rot. Bonds7

About N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide

N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide (PubChem CID 116500960) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide
PubChem CID116500960
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide
SMILESCOCC(C)CNc1ccccc1CN(C)C(C)=O
InChIInChI=1S/C15H24N2O2/c1-12(11-19-4)9-16-15-8-6-5-7-14(15)10-17(3)13(2)18/h5-8,12,16H,9-11H2,1-4H3
InChIKeyOKRJGSJYYLXVBE-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate
CID 114200705
N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide
CID 62999124
N-methyl-N-[[2-(1H-pyrrol-3-ylmethylamino)phenyl]methyl]acetamide
CID 66409381
N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide
CID 43782865
N-[[2-[(5-bromothiophen-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43692092
N-[[2-[(3-chlorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43692106
N-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 62345794
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide
CID 80543349
(2R)-2-[[2-[[acetyl(methyl)amino]methyl]phenyl]carbamoylamino]-N-[(2R)-butan-2-yl]propanamide
CID 94959778
tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate
CID 107242386
N-[[2-[1-(furan-2-yl)ethylamino]phenyl]methyl]-N-methylacetamide
CID 43692114
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 39277767

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide (CID 116500960) is N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide is COCC(C)CNc1ccccc1CN(C)C(C)=O.
What is the InChIKey of N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide?
The InChIKey is OKRJGSJYYLXVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(11-19-4)9-16-15-8-6-5-7-14(15)10-17(3)13(2)18/h5-8,12,16H,9-11H2,1-4H3.
What are the key properties of N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide?
N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide has a molecular weight of 264.37 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 116500960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).