2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide

C17H28N2O2 — CID 61489519

IUPAC2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCCNC(C)c1cccc(OCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-6-18-14(5)15-8-7-9-16(10-15)21-11-17(20)19-13(4)12(2)3/h7-10,12-14,18H,6,11H2,1-5H3,(H,19,20)
InChIKeyWEMNVZFIGHLPJW-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.90
Rot. Bonds8

About 2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide

2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 61489519) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
PubChem CID61489519
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCCNC(C)c1cccc(OCC(=O)NC(C)C(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-6-18-14(5)15-8-7-9-16(10-15)21-11-17(20)19-13(4)12(2)3/h7-10,12-14,18H,6,11H2,1-5H3,(H,19,20)
InChIKeyWEMNVZFIGHLPJW-UHFFFAOYSA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365748
N-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide
CID 60883645
3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43214257
2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 51141697
N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
CID 61485837
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
N-[(2R)-3-methylbutan-2-yl]-2-(3-nitrophenoxy)acetamide
CID 7865052
3-[3-[1-(ethylamino)ethyl]phenoxy]-N,N-dimethylpropanamide
CID 54879287
N-methyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279883
N-[(2R)-3-methylbutan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 26218455
N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine
CID 65365407
2-[3-(1-aminoethyl)phenoxy]-N-butan-2-ylacetamide
CID 16787074

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide (CID 61489519) is 2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide is CCNC(C)c1cccc(OCC(=O)NC(C)C(C)C)c1.
What is the InChIKey of 2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is WEMNVZFIGHLPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-18-14(5)15-8-7-9-16(10-15)21-11-17(20)19-13(4)12(2)3/h7-10,12-14,18H,6,11H2,1-5H3,(H,19,20).
What are the key properties of 2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide?
2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 61489519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).