2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide

C16H26N2O2 — CID 61487053

IUPAC2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
SMILESCCNCc1ccccc1OCC(=O)NC(CC)CC
InChIInChI=1S/C16H26N2O2/c1-4-14(5-2)18-16(19)12-20-15-10-8-7-9-13(15)11-17-6-3/h7-10,14,17H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyQYJREARMCJMMKG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.48
Rot. Bonds9

About 2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide

2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide (PubChem CID 61487053) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
PubChem CID61487053
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
SMILESCCNCc1ccccc1OCC(=O)NC(CC)CC
InChIInChI=1S/C16H26N2O2/c1-4-14(5-2)18-16(19)12-20-15-10-8-7-9-13(15)11-17-6-3/h7-10,14,17H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyQYJREARMCJMMKG-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide
CID 107695704
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 43277250
2-[2-(ethylaminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 61487799
N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 60881968
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849925
N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide
CID 43277958
2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide
CID 47397786
2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide
CID 61490026
2-[2-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 63062212
N-(3-methylbutan-2-yl)-2-[2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 61489295
2-[2-(aminomethyl)phenoxy]-N-(3-methylpentan-2-yl)acetamide
CID 61463337
2-methyl-3-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzoic acid
CID 82826951

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide (CID 61487053) is 2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide is CCNCc1ccccc1OCC(=O)NC(CC)CC.
What is the InChIKey of 2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide?
The InChIKey is QYJREARMCJMMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-14(5-2)18-16(19)12-20-15-10-8-7-9-13(15)11-17-6-3/h7-10,14,17H,4-6,11-12H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide?
2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)phenoxy]-N-pentan-3-ylacetamide is sourced from PubChem (CID 61487053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).