2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide

C14H22N2O2 — CID 113299102

IUPAC2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide
SMILESCCC(C)(NCc1cccc(COC)c1)C(N)=O
InChIInChI=1S/C14H22N2O2/c1-4-14(2,13(15)17)16-9-11-6-5-7-12(8-11)10-18-3/h5-8,16H,4,9-10H2,1-3H3,(H2,15,17)
InChIKeyUKXNSGQUKWCHLR-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.58
Rot. Bonds7

About 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide

2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide (PubChem CID 113299102) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide
PubChem CID113299102
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide
SMILESCCC(C)(NCc1cccc(COC)c1)C(N)=O
InChIInChI=1S/C14H22N2O2/c1-4-14(2,13(15)17)16-9-11-6-5-7-12(8-11)10-18-3/h5-8,16H,4,9-10H2,1-3H3,(H2,15,17)
InChIKeyUKXNSGQUKWCHLR-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide 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

2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentanoic acid
CID 61342159
(2R)-2-[(3-bromophenyl)methylamino]-2-methylbutanamide
CID 97341035
3-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 60970958
2-methyl-2-[(3-methylphenyl)methylamino]butanoic acid
CID 78969372
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide
CID 113243144
2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide
CID 79796724
1-[3-(methoxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720712
2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]-2-methylpropanamide
CID 63984624
N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 61003389
methyl 2-[3-(methoxymethyl)phenyl]acetate
CID 131730198
1-(2-hydroxy-3,3-dimethylbutyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 111338038

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide?
The IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide (CID 113299102) is 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide.
What is the SMILES notation for 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide?
The canonical SMILES for 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide is CCC(C)(NCc1cccc(COC)c1)C(N)=O.
What is the InChIKey of 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide?
The InChIKey is UKXNSGQUKWCHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-14(2,13(15)17)16-9-11-6-5-7-12(8-11)10-18-3/h5-8,16H,4,9-10H2,1-3H3,(H2,15,17).
What are the key properties of 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide?
2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)phenyl]methylamino]-2-methylbutanamide is sourced from PubChem (CID 113299102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).