2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide

C17H28N2O2 — CID 63063750

IUPAC2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)COc1ccccc1CNC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-13(2)19(6)16(20)12-21-15-10-8-7-9-14(15)11-18-17(3,4)5/h7-10,13,18H,11-12H2,1-6H3
InChIKeyOFOJAWJZFCYMMI-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.82
Rot. Bonds6

About 2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide

2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide (PubChem CID 63063750) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
PubChem CID63063750
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)COc1ccccc1CNC(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-13(2)19(6)16(20)12-21-15-10-8-7-9-14(15)11-18-17(3,4)5/h7-10,13,18H,11-12H2,1-6H3
InChIKeyOFOJAWJZFCYMMI-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide
CID 78853919
2-[2-[(tert-butylamino)methyl]phenoxy]-N-carbamoylacetamide
CID 63062382
ethyl 2-[2-[(tert-butylamino)methyl]phenoxy]propanoate
CID 63062046
N,N-diethyl-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43277363
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107698259
2-[2-(ethylaminomethyl)-6-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115952627
2-[2-(ethylaminomethyl)-4-methylphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63323513
2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide
CID 6459149
2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide
CID 63062536
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 55473244
2-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide
CID 61106876
2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
CID 110891996

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide (CID 63063750) is 2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)COc1ccccc1CNC(C)(C)C.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is OFOJAWJZFCYMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)19(6)16(20)12-21-15-10-8-7-9-14(15)11-18-17(3,4)5/h7-10,13,18H,11-12H2,1-6H3.
What are the key properties of 2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide?
2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 292.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 63063750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).