2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide

C17H21N3O4 — CID 42951632

IUPAC2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCCC(=O)N1CCOCC1
InChIInChI=1S/C17H21N3O4/c1-13(24-15-4-2-14(12-18)3-5-15)17(22)19-7-6-16(21)20-8-10-23-11-9-20/h2-5,13H,6-11H2,1H3,(H,19,22)
InChIKeyOZTNKIIHXQQPKZ-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.69
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide

2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide (PubChem CID 42951632) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
PubChem CID42951632
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCCC(=O)N1CCOCC1
InChIInChI=1S/C17H21N3O4/c1-13(24-15-4-2-14(12-18)3-5-15)17(22)19-7-6-16(21)20-8-10-23-11-9-20/h2-5,13H,6-11H2,1H3,(H,19,22)
InChIKeyOZTNKIIHXQQPKZ-UHFFFAOYSA-N
XLogP0.69
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3,4-difluorophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
CID 94815844
2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 47034520
2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 42919488
2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide
CID 134053073
4-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832580
2-(4-cyanophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 51157171
(2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 94796902
2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 43010252
2-(4-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51163883
2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16545878
2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167287

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide (CID 42951632) is 2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NCCC(=O)N1CCOCC1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide?
The InChIKey is OZTNKIIHXQQPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-13(24-15-4-2-14(12-18)3-5-15)17(22)19-7-6-16(21)20-8-10-23-11-9-20/h2-5,13H,6-11H2,1H3,(H,19,22).
What are the key properties of 2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide?
2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide has a molecular weight of 331.37 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide is sourced from PubChem (CID 42951632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).