2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide

C16H26N2O2 — CID 102609863

IUPAC2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide
SMILESCC(C)C(C)(C)CNCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)16(3,4)11-18-9-13-5-7-14(8-6-13)20-10-15(17)19/h5-8,12,18H,9-11H2,1-4H3,(H2,17,19)
InChIKeyOBCWYMSNOYTDRY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.32
Rot. Bonds8

About 2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide

2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide (PubChem CID 102609863) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide
PubChem CID102609863
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide
SMILESCC(C)C(C)(C)CNCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)16(3,4)11-18-9-13-5-7-14(8-6-13)20-10-15(17)19/h5-8,12,18H,9-11H2,1-4H3,(H2,17,19)
InChIKeyOBCWYMSNOYTDRY-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
CID 61166013
2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674
2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide
CID 104857751
2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide
CID 115630578
tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate
CID 54547080
(2S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]propanamide
CID 39756608
2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494731
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
CID 83211507
N-[[4-(2-aminoethyl)phenyl]methyl]-2,2,3-trimethylbutan-1-amine
CID 114100591
2-[4-(2-hydroxypropyl)phenoxy]acetamide
CID 115495800
methyl 4-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]butanoate
CID 60782524
2-[4-[(furan-3-ylmethylamino)methyl]phenoxy]acetamide
CID 115585264

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide (CID 102609863) is 2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide is CC(C)C(C)(C)CNCc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide?
The InChIKey is OBCWYMSNOYTDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)16(3,4)11-18-9-13-5-7-14(8-6-13)20-10-15(17)19/h5-8,12,18H,9-11H2,1-4H3,(H2,17,19).
What are the key properties of 2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide?
2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 102609863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).