2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide

C17H28N2O2 — CID 6459149

IUPAC2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide
SMILESCC(C)(C)CC(C)(C)NCc1ccccc1OCC(N)=O
InChIInChI=1S/C17H28N2O2/c1-16(2,3)12-17(4,5)19-10-13-8-6-7-9-14(13)21-11-15(18)20/h6-9,19H,10-12H2,1-5H3,(H2,18,20)
InChIKeyOOADUBGZFBYLBN-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.86
Rot. Bonds7

About 2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide

2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide (PubChem CID 6459149) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide
PubChem CID6459149
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide
SMILESCC(C)(C)CC(C)(C)NCc1ccccc1OCC(N)=O
InChIInChI=1S/C17H28N2O2/c1-16(2,3)12-17(4,5)19-10-13-8-6-7-9-14(13)21-11-15(18)20/h6-9,19H,10-12H2,1-5H3,(H2,18,20)
InChIKeyOOADUBGZFBYLBN-UHFFFAOYSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 2242368
2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide
CID 63062382
methyl 2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenyl]acetate
CID 115461831
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 4722849
2-[(2-ethoxyphenyl)methylamino]-2-methylpropanamide
CID 61211249
2-[2-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 63062212
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331337
2-(2-tert-butylphenoxy)acetamide
CID 17051379
2-[4-chloro-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenoxy]acetamide
CID 17053993
2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63063750
N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331476
2-(2-hydroxyphenoxy)acetamide
CID 786426

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide (CID 6459149) is 2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide is CC(C)(C)CC(C)(C)NCc1ccccc1OCC(N)=O.
What is the InChIKey of 2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide?
The InChIKey is OOADUBGZFBYLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-16(2,3)12-17(4,5)19-10-13-8-6-7-9-14(13)21-11-15(18)20/h6-9,19H,10-12H2,1-5H3,(H2,18,20).
What are the key properties of 2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide?
2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 6459149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).