N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide

C16H26N2O3 — CID 119570439

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)NC(CC)(CC)CN)cc1
InChIInChI=1S/C16H26N2O3/c1-4-16(5-2,12-17)18-15(19)11-21-14-9-7-13(8-10-14)20-6-3/h7-10H,4-6,11-12,17H2,1-3H3,(H,18,19)
InChIKeyFQVGIQHXPJMDBD-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.10
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide

N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide (PubChem CID 119570439) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide
PubChem CID119570439
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)NC(CC)(CC)CN)cc1
InChIInChI=1S/C16H26N2O3/c1-4-16(5-2,12-17)18-15(19)11-21-14-9-7-13(8-10-14)20-6-3/h7-10H,4-6,11-12,17H2,1-3H3,(H,18,19)
InChIKeyFQVGIQHXPJMDBD-UHFFFAOYSA-N
XLogP2.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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

N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide
CID 119569073
N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 119570960
N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride
CID 119568650
N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119570570
N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
CID 119568739
N-[3-(aminomethyl)pentan-3-yl]-2-(3-propan-2-ylphenoxy)acetamide
CID 119571885
2-(4-ethoxyphenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390531
N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 119569079
N-ethoxy-2-(4-ethoxyphenoxy)acetamide
CID 60700690
2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945438
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(4-chlorophenoxy)acetamide
CID 107868236
N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide
CID 119571043

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide (CID 119570439) is N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=O)NC(CC)(CC)CN)cc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide?
The InChIKey is FQVGIQHXPJMDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-16(5-2,12-17)18-15(19)11-21-14-9-7-13(8-10-14)20-6-3/h7-10H,4-6,11-12,17H2,1-3H3,(H,18,19).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide?
N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 294.40 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide is sourced from PubChem (CID 119570439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).