2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide

C16H26N2O3 — CID 61270005

IUPAC2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
SMILESCNCc1ccc(OC)cc1OC(C)C(=O)NCC(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)9-18-16(19)12(3)21-15-8-14(20-5)7-6-13(15)10-17-4/h6-8,11-12,17H,9-10H2,1-5H3,(H,18,19)
InChIKeyBPBPBCAHBGETBB-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.95
Rot. Bonds8

About 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide

2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide (PubChem CID 61270005) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
PubChem CID61270005
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
SMILESCNCc1ccc(OC)cc1OC(C)C(=O)NCC(C)C
InChIInChI=1S/C16H26N2O3/c1-11(2)9-18-16(19)12(3)21-15-8-14(20-5)7-6-13(15)10-17-4/h6-8,11-12,17H,9-10H2,1-5H3,(H,18,19)
InChIKeyBPBPBCAHBGETBB-UHFFFAOYSA-N
XLogP1.95
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43277159
2-(2-formyl-5-methoxyphenoxy)-N-(2-methylpropyl)propanamide
CID 61269972
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 43267928
N-ethyl-2-[4-methoxy-2-(methylaminomethyl)phenoxy]propanamide
CID 43276266
(2R)-2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methylpropyl)propanamide
CID 8949326
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide
CID 61267766
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide
CID 61269246
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide
CID 61267387
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 61267389
1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
CID 61270001
1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 61268710
2-(2-formyl-5-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 61267937

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide (CID 61270005) is 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide is CNCc1ccc(OC)cc1OC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The InChIKey is BPBPBCAHBGETBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)9-18-16(19)12(3)21-15-8-14(20-5)7-6-13(15)10-17-4/h6-8,11-12,17H,9-10H2,1-5H3,(H,18,19).
What are the key properties of 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide?
2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide has a molecular weight of 294.39 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 61270005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).