N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide

C17H22N2O4 — CID 46410900

IUPACN-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)NCC1CCCO1
InChIInChI=1S/C17H22N2O4/c20-16(18-10-15-5-2-8-22-15)11-23-14-4-1-3-13(9-14)19-17(21)12-6-7-12/h1,3-4,9,12,15H,2,5-8,10-11H2,(H,18,20)(H,19,21)
InChIKeyBEJODVXQMLJVGW-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.71
Rot. Bonds7

About N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 46410900) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide
PubChem CID46410900
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)NCC1CCCO1
InChIInChI=1S/C17H22N2O4/c20-16(18-10-15-5-2-8-22-15)11-23-14-4-1-3-13(9-14)19-17(21)12-6-7-12/h1,3-4,9,12,15H,2,5-8,10-11H2,(H,18,20)(H,19,21)
InChIKeyBEJODVXQMLJVGW-UHFFFAOYSA-N
XLogP1.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 82834678
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
2-[3-(3-methylbutoxy)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2324006
2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 5059346
1-(cyclopropanecarbonyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]piperidine-4-carboxamide
CID 38474824
4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120543056
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluorophenoxy)acetate
CID 2369928
N-[3-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119621061
N-[4-[[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 146122773
2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2419982
N-[3-[2-(2,2-diphenylethylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616709

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide (CID 46410900) is N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide is O=C(COc1cccc(NC(=O)C2CC2)c1)NCC1CCCO1.
What is the InChIKey of N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is BEJODVXQMLJVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-16(18-10-15-5-2-8-22-15)11-23-14-4-1-3-13(9-14)19-17(21)12-6-7-12/h1,3-4,9,12,15H,2,5-8,10-11H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 318.37 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46410900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).