2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide

C16H26N2O3 — CID 63057094

IUPAC2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc(CNC(C)(C)C)cc1OC
InChIInChI=1S/C16H26N2O3/c1-11(15(19)17-5)21-13-8-7-12(9-14(13)20-6)10-18-16(2,3)4/h7-9,11,18H,10H2,1-6H3,(H,17,19)
InChIKeyOXUBFLSIWWQIBJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.10
Rot. Bonds6

About 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide

2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide (PubChem CID 63057094) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide
PubChem CID63057094
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc(CNC(C)(C)C)cc1OC
InChIInChI=1S/C16H26N2O3/c1-11(15(19)17-5)21-13-8-7-12(9-14(13)20-6)10-18-16(2,3)4/h7-9,11,18H,10H2,1-6H3,(H,17,19)
InChIKeyOXUBFLSIWWQIBJ-UHFFFAOYSA-N
XLogP2.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide
CID 63000645
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 60760640
2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 43278792
2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
CID 63057446
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107890983
methyl 3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propanoate
CID 63950315
2-[2-methoxy-4-(methylaminomethyl)phenoxy]propanamide
CID 43278556
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 75494674
2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide
CID 43400841
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 78931098
2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 43278181
1-(tert-butylamino)-3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol;oxalic acid
CID 24905848

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide?
The IUPAC name of 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide (CID 63057094) is 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide is CNC(=O)C(C)Oc1ccc(CNC(C)(C)C)cc1OC.
What is the InChIKey of 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide?
The InChIKey is OXUBFLSIWWQIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(15(19)17-5)21-13-8-7-12(9-14(13)20-6)10-18-16(2,3)4/h7-9,11,18H,10H2,1-6H3,(H,17,19).
What are the key properties of 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide?
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide is sourced from PubChem (CID 63057094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).