2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide

C14H22N2O2 — CID 61166013

IUPAC2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
SMILESCC(C)(C)CNCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)10-16-8-11-4-6-12(7-5-11)18-9-13(15)17/h4-7,16H,8-10H2,1-3H3,(H2,15,17)
InChIKeyIUDJATVDHBGEMY-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.69
Rot. Bonds6

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

2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide (PubChem CID 61166013) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
PubChem CID61166013
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
SMILESCC(C)(C)CNCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)10-16-8-11-4-6-12(7-5-11)18-9-13(15)17/h4-7,16H,8-10H2,1-3H3,(H2,15,17)
InChIKeyIUDJATVDHBGEMY-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide
CID 102609863
2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide
CID 104857751
2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674
tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate
CID 54547080
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
CID 83211507
2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide
CID 115630578
methyl 4-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]butanoate
CID 60782524
2-[4-[(furan-3-ylmethylamino)methyl]phenoxy]acetamide
CID 115585264
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide
CID 43401621
2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide
CID 105415307
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 61167785
2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid
CID 71422873

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide (CID 61166013) is 2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide is CC(C)(C)CNCc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide?
The InChIKey is IUDJATVDHBGEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)10-16-8-11-4-6-12(7-5-11)18-9-13(15)17/h4-7,16H,8-10H2,1-3H3,(H2,15,17).
What are the key properties of 2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide?
2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 61166013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).