2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide

C17H28N2O2 — CID 43279784

IUPAC2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(CCC(C)NCC)cc1
InChIInChI=1S/C17H28N2O2/c1-4-12-19-17(20)13-21-16-10-8-15(9-11-16)7-6-14(3)18-5-2/h8-11,14,18H,4-7,12-13H2,1-3H3,(H,19,20)
InChIKeyRVRJHPPXCBZPMW-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.52
Rot. Bonds10

About 2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide

2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide (PubChem CID 43279784) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide
PubChem CID43279784
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide
SMILESCCCNC(=O)COc1ccc(CCC(C)NCC)cc1
InChIInChI=1S/C17H28N2O2/c1-4-12-19-17(20)13-21-16-10-8-15(9-11-16)7-6-14(3)18-5-2/h8-11,14,18H,4-7,12-13H2,1-3H3,(H,19,20)
InChIKeyRVRJHPPXCBZPMW-UHFFFAOYSA-N
XLogP2.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide
CID 115495042
4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
CID 43279773
4-[4-[3-(ethylamino)butyl]phenoxy]-N-methylbutanamide
CID 63892865
methyl 4-[4-[3-(ethylamino)butyl]phenoxy]butanoate
CID 60881948
4-[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]-N-propylbutan-2-amine
CID 106436815
2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide
CID 43279744
N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494718
3-(ethylamino)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 62838416
2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol
CID 60881953
2-(4-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653266
4-[4-(2-fluoroethoxy)phenyl]-N-propylbutan-2-amine
CID 80699637
2-[4-[(4-phenylbutan-2-ylamino)methyl]phenoxy]acetic acid
CID 17211434

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide?
The IUPAC name of 2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide (CID 43279784) is 2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide.
What is the SMILES notation for 2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide?
The canonical SMILES for 2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide is CCCNC(=O)COc1ccc(CCC(C)NCC)cc1.
What is the InChIKey of 2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide?
The InChIKey is RVRJHPPXCBZPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-12-19-17(20)13-21-16-10-8-15(9-11-16)7-6-14(3)18-5-2/h8-11,14,18H,4-7,12-13H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide?
2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide has a molecular weight of 292.42 g/mol, XLogP of 2.52, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide is sourced from PubChem (CID 43279784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).