2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide

C16H26N2O2 — CID 63062886

IUPAC2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)CNCc1ccc(OCC(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)9-17-10-14-5-7-15(8-6-14)20-11-16(19)18-13(3)4/h5-8,12-13,17H,9-11H2,1-4H3,(H,18,19)
InChIKeyIKXXJEPTUMKTDM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.34
Rot. Bonds8

About 2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide

2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 63062886) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide
PubChem CID63062886
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)CNCc1ccc(OCC(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)9-17-10-14-5-7-15(8-6-14)20-11-16(19)18-13(3)4/h5-8,12-13,17H,9-11H2,1-4H3,(H,18,19)
InChIKeyIKXXJEPTUMKTDM-UHFFFAOYSA-N
XLogP2.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide
CID 43279744
2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
CID 4732908
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
2-[4-(methylaminomethyl)phenoxy]-N-(propan-2-ylcarbamoyl)acetamide
CID 106486259
2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208708
2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide
CID 115630578
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide (CID 63062886) is 2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide is CC(C)CNCc1ccc(OCC(=O)NC(C)C)cc1.
What is the InChIKey of 2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide?
The InChIKey is IKXXJEPTUMKTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)9-17-10-14-5-7-15(8-6-14)20-11-16(19)18-13(3)4/h5-8,12-13,17H,9-11H2,1-4H3,(H,18,19).
What are the key properties of 2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide?
2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 63062886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).