2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide

C17H26N2O2 — CID 65157098

IUPAC2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide
SMILESCCCNC(C)c1cccc(NC(=O)CC2CCCO2)c1
InChIInChI=1S/C17H26N2O2/c1-3-9-18-13(2)14-6-4-7-15(11-14)19-17(20)12-16-8-5-10-21-16/h4,6-7,11,13,16,18H,3,5,8-10,12H2,1-2H3,(H,19,20)
InChIKeySZJOQMHHCDUEBD-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.25
Rot. Bonds7

About 2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide

2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide (PubChem CID 65157098) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide
PubChem CID65157098
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide
SMILESCCCNC(C)c1cccc(NC(=O)CC2CCCO2)c1
InChIInChI=1S/C17H26N2O2/c1-3-9-18-13(2)14-6-4-7-15(11-14)19-17(20)12-16-8-5-10-21-16/h4,6-7,11,13,16,18H,3,5,8-10,12H2,1-2H3,(H,19,20)
InChIKeySZJOQMHHCDUEBD-UHFFFAOYSA-N
XLogP3.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea
CID 61341839
N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 65157052
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 61272203
5-methyl-N-[3-[1-(propylamino)ethyl]phenyl]oxolane-2-carboxamide
CID 81316838
N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155963
N-[1-[3-[2-(oxolan-2-yl)ethylsulfanyl]phenyl]ethyl]propan-1-amine
CID 65165516
N-[3-(cyclopentylamino)phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95629890
1-cyclopropyl-1-methyl-3-[3-[1-(propylamino)ethyl]phenyl]urea
CID 61339846
2-(oxolan-2-yl)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 47211352
N-[1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethyl]propan-1-amine
CID 65165463
N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56785834

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide?
The IUPAC name of 2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide (CID 65157098) is 2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for 2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide?
The canonical SMILES for 2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide is CCCNC(C)c1cccc(NC(=O)CC2CCCO2)c1.
What is the InChIKey of 2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide?
The InChIKey is SZJOQMHHCDUEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-9-18-13(2)14-6-4-7-15(11-14)19-17(20)12-16-8-5-10-21-16/h4,6-7,11,13,16,18H,3,5,8-10,12H2,1-2H3,(H,19,20).
What are the key properties of 2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide?
2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 65157098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).