2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide

C16H26N2O2 — CID 115495042

IUPAC2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(CC(C)NCC)cc1
InChIInChI=1S/C16H26N2O2/c1-4-10-18-16(19)12-20-15-8-6-14(7-9-15)11-13(3)17-5-2/h6-9,13,17H,4-5,10-12H2,1-3H3,(H,18,19)
InChIKeyYWFFFOLLYWTBCB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.13
Rot. Bonds9

About 2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide

2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide (PubChem CID 115495042) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide
PubChem CID115495042
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(CC(C)NCC)cc1
InChIInChI=1S/C16H26N2O2/c1-4-10-18-16(19)12-20-15-8-6-14(7-9-15)11-13(3)17-5-2/h6-9,13,17H,4-5,10-12H2,1-3H3,(H,18,19)
InChIKeyYWFFFOLLYWTBCB-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide
CID 43279784
N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494718
ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate
CID 115494998
ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate
CID 115495172
2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide
CID 61485616
2-(4-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653266
N-ethyl-1-(4-heptoxyphenyl)propan-2-amine
CID 115494863
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine
CID 115494903
methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate
CID 115495159
N-[(2R)-2-(ethylamino)propyl]-2-(4-phenylmethoxyphenoxy)acetamide;hydrochloride
CID 120654572
N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine
CID 106450535

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide?
The IUPAC name of 2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide (CID 115495042) is 2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide?
The canonical SMILES for 2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide is CCCNC(=O)COc1ccc(CC(C)NCC)cc1.
What is the InChIKey of 2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide?
The InChIKey is YWFFFOLLYWTBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-10-18-16(19)12-20-15-8-6-14(7-9-15)11-13(3)17-5-2/h6-9,13,17H,4-5,10-12H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide?
2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide is sourced from PubChem (CID 115495042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).