N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide

C15H22N2O2 — CID 115917600

IUPACN-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(C)C2CCOC2)c1
InChIInChI=1S/C15H22N2O2/c1-3-15(18)17-14-6-4-5-13(9-14)16-11(2)12-7-8-19-10-12/h4-6,9,11-12,16H,3,7-8,10H2,1-2H3,(H,17,18)
InChIKeyLVSVHETUIFURBC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.87
Rot. Bonds5

About N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide

N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide (PubChem CID 115917600) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
PubChem CID115917600
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(C)C2CCOC2)c1
InChIInChI=1S/C15H22N2O2/c1-3-15(18)17-14-6-4-5-13(9-14)16-11(2)12-7-8-19-10-12/h4-6,9,11-12,16H,3,7-8,10H2,1-2H3,(H,17,18)
InChIKeyLVSVHETUIFURBC-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
CID 115916565
2-[1-(oxolan-3-yl)ethylamino]-N-phenylacetamide
CID 115713791
N-[3-(1-cyclopropylethylamino)phenyl]-2-methoxyacetamide
CID 43713200
tert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate
CID 103936437
N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide
CID 62702824
N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 115918177
[3-(1-cyclopropylethylamino)phenyl]urea
CID 43744613
N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 84598905
N-[3-(1-cyclohexylethylamino)phenyl]-2-methoxyacetamide
CID 43784509
1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917292
N-[3-(1-cyanoethylamino)phenyl]propanamide
CID 70638220
N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 124600539

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide?
The IUPAC name of N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide (CID 115917600) is N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide.
What is the SMILES notation for N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide?
The canonical SMILES for N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(C)C2CCOC2)c1.
What is the InChIKey of N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide?
The InChIKey is LVSVHETUIFURBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-15(18)17-14-6-4-5-13(9-14)16-11(2)12-7-8-19-10-12/h4-6,9,11-12,16H,3,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide?
N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide has a molecular weight of 262.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide is sourced from PubChem (CID 115917600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).