2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide

C16H26N2O2 — CID 43278240

IUPAC2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide
SMILESCNCc1cccc(OC(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-12(2)8-9-18-16(19)13(3)20-15-7-5-6-14(10-15)11-17-4/h5-7,10,12-13,17H,8-9,11H2,1-4H3,(H,18,19)
InChIKeyPQJICIQOMMVEMR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.34
Rot. Bonds8

About 2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide

2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide (PubChem CID 43278240) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide
PubChem CID43278240
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide
SMILESCNCc1cccc(OC(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-12(2)8-9-18-16(19)13(3)20-15-7-5-6-14(10-15)11-17-4/h5-7,10,12-13,17H,8-9,11H2,1-4H3,(H,18,19)
InChIKeyPQJICIQOMMVEMR-UHFFFAOYSA-N
XLogP2.34
TPSA50.36 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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide
CID 43278248
2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 43278238
2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(3-methylbutyl)propanamide
CID 66347435
N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63056226
2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53286233
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2S)-2-naphthalen-2-yloxy-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99131030
N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495359

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide (CID 43278240) is 2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide is CNCc1cccc(OC(C)C(=O)NCCC(C)C)c1.
What is the InChIKey of 2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide?
The InChIKey is PQJICIQOMMVEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)8-9-18-16(19)13(3)20-15-7-5-6-14(10-15)11-17-4/h5-7,10,12-13,17H,8-9,11H2,1-4H3,(H,18,19).
What are the key properties of 2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide?
2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 43278240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).