2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide

C17H26N2O2 — CID 63326986

IUPAC2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide
SMILESCc1ccc(OCC(=O)NC2CC2)c(CNC(C)(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-12-5-8-15(13(9-12)10-18-17(2,3)4)21-11-16(20)19-14-6-7-14/h5,8-9,14,18H,6-7,10-11H2,1-4H3,(H,19,20)
InChIKeyMGZGPPHNTOLWMZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.54
Rot. Bonds6

About 2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide

2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide (PubChem CID 63326986) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide
PubChem CID63326986
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide
SMILESCc1ccc(OCC(=O)NC2CC2)c(CNC(C)(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-12-5-8-15(13(9-12)10-18-17(2,3)4)21-11-16(20)19-14-6-7-14/h5,8-9,14,18H,6-7,10-11H2,1-4H3,(H,19,20)
InChIKeyMGZGPPHNTOLWMZ-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide 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

N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide
CID 63325684
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326335
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
2-[4-[(tert-butylamino)methyl]-2-chlorophenoxy]-N-cyclopropylacetamide
CID 63056850
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide
CID 63325796
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopentylacetamide
CID 63326156
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63325624
N-(4-aminocyclohexyl)-2-(2,4-dimethylphenoxy)acetamide
CID 119477487
N-cyclopropyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639605
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63324573
N-cyclopropyl-2-[4-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43505232

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide (CID 63326986) is 2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide is Cc1ccc(OCC(=O)NC2CC2)c(CNC(C)(C)C)c1.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide?
The InChIKey is MGZGPPHNTOLWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-5-8-15(13(9-12)10-18-17(2,3)4)21-11-16(20)19-14-6-7-14/h5,8-9,14,18H,6-7,10-11H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide?
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]-N-cyclopropylacetamide is sourced from PubChem (CID 63326986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).