3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one

C17H26N2O2 — CID 43280133

IUPAC3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one
SMILESCCNC(CC)c1ccc(OC2CCCCNC2=O)cc1
InChIInChI=1S/C17H26N2O2/c1-3-15(18-4-2)13-8-10-14(11-9-13)21-16-7-5-6-12-19-17(16)20/h8-11,15-16,18H,3-7,12H2,1-2H3,(H,19,20)
InChIKeyCSBGXIIBORYTPL-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.79
Rot. Bonds6

About 3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one

3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one (PubChem CID 43280133) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one.

Molecular Properties

Compound Name3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one
PubChem CID43280133
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one
SMILESCCNC(CC)c1ccc(OC2CCCCNC2=O)cc1
InChIInChI=1S/C17H26N2O2/c1-3-15(18-4-2)13-8-10-14(11-9-13)21-16-7-5-6-12-19-17(16)20/h8-11,15-16,18H,3-7,12H2,1-2H3,(H,19,20)
InChIKeyCSBGXIIBORYTPL-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-bromo-2-[1-(ethylamino)ethyl]phenoxy]azepan-2-one
CID 62393069
3-[4-(1-aminoethyl)phenoxy]pyrrolidin-2-one
CID 117052210
4-[4-[1-(ethylamino)propyl]phenoxy]-1,1-dioxothiolan-3-ol
CID 60889931
3-[3-[1-(methylamino)ethyl]phenoxy]azepan-2-one
CID 43279877
3-[4-[1-(methylamino)propyl]phenoxy]oxolan-2-one
CID 60889535
1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine
CID 105051444
3-[(3-oxo-1-benzofuran-6-yl)oxy]azepan-2-one
CID 63094843
3-[2-(1-hydroxypropyl)phenoxy]azepan-2-one
CID 43503545
3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]azepan-2-one
CID 63327046
(3S)-3-[4-(pyridin-3-ylmethoxy)phenoxy]azepan-2-one
CID 99839308
2-methyl-4-(2-oxoazepan-3-yl)oxybenzenesulfonamide
CID 82914661
3-(4-acetyl-3-fluorophenoxy)azepan-2-one
CID 107719380

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one?
The IUPAC name of 3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one (CID 43280133) is 3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one.
What is the SMILES notation for 3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one?
The canonical SMILES for 3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one is CCNC(CC)c1ccc(OC2CCCCNC2=O)cc1.
What is the InChIKey of 3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one?
The InChIKey is CSBGXIIBORYTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-15(18-4-2)13-8-10-14(11-9-13)21-16-7-5-6-12-19-17(16)20/h8-11,15-16,18H,3-7,12H2,1-2H3,(H,19,20).
What are the key properties of 3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one?
3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(ethylamino)propyl]phenoxy]azepan-2-one is sourced from PubChem (CID 43280133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).