2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide

C16H26N2O2 — CID 43278238

IUPAC2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1cccc(CNC)c1
InChIInChI=1S/C16H26N2O2/c1-5-7-12(2)18-16(19)13(3)20-15-9-6-8-14(10-15)11-17-4/h6,8-10,12-13,17H,5,7,11H2,1-4H3,(H,18,19)
InChIKeyDDHSEULYMDLXIM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.48
Rot. Bonds8

About 2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide

2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide (PubChem CID 43278238) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
PubChem CID43278238
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1cccc(CNC)c1
InChIInChI=1S/C16H26N2O2/c1-5-7-12(2)18-16(19)13(3)20-15-9-6-8-14(10-15)11-17-4/h6,8-10,12-13,17H,5,7,11H2,1-4H3,(H,18,19)
InChIKeyDDHSEULYMDLXIM-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 99953946
2-[3-(methylaminomethyl)phenoxy]-N-pentylpropanamide
CID 43278248
2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 43278240
2-(3-formylphenoxy)-N-pentan-2-ylpropanamide
CID 43112275
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 61389625
(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 807864
2-[4-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxyphenyl]acetic acid
CID 43113710
(2R)-2-(3-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2169959
(2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide
CID 40537766
2-(3-chlorophenoxy)-N-heptan-2-ylpropanamide
CID 4097223
N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63056226
N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide (CID 43278238) is 2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Oc1cccc(CNC)c1.
What is the InChIKey of 2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide?
The InChIKey is DDHSEULYMDLXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-7-12(2)18-16(19)13(3)20-15-9-6-8-14(10-15)11-17-4/h6,8-10,12-13,17H,5,7,11H2,1-4H3,(H,18,19).
What are the key properties of 2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide?
2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.48, 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-pentan-2-ylpropanamide is sourced from PubChem (CID 43278238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).