2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide

C21H31N3O3 — CID 134053073

IUPAC2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide
SMILESCCC(CC)C(CNC(=O)C(C)Oc1ccc(C#N)cc1)N1CCOCC1
InChIInChI=1S/C21H31N3O3/c1-4-18(5-2)20(24-10-12-26-13-11-24)15-23-21(25)16(3)27-19-8-6-17(14-22)7-9-19/h6-9,16,18,20H,4-5,10-13,15H2,1-3H3,(H,23,25)
InChIKeyMXSLQYKKHJXSSK-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.58
Rot. Bonds9

About 2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide

2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide (PubChem CID 134053073) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide
PubChem CID134053073
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide
SMILESCCC(CC)C(CNC(=O)C(C)Oc1ccc(C#N)cc1)N1CCOCC1
InChIInChI=1S/C21H31N3O3/c1-4-18(5-2)20(24-10-12-26-13-11-24)15-23-21(25)16(3)27-19-8-6-17(14-22)7-9-19/h6-9,16,18,20H,4-5,10-13,15H2,1-3H3,(H,23,25)
InChIKeyMXSLQYKKHJXSSK-UHFFFAOYSA-N
XLogP2.58
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea
CID 38309492
2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
CID 42951632
2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 42919488
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 42943249
(2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 25495550
(2S)-3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833675
3-[2-(4-cyanophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66167287
(2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55939114
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8855622
2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 47034520
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-methoxyphenyl)propanamide
CID 75691751
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)propanamide
CID 51283112

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide (CID 134053073) is 2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide is CCC(CC)C(CNC(=O)C(C)Oc1ccc(C#N)cc1)N1CCOCC1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide?
The InChIKey is MXSLQYKKHJXSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-4-18(5-2)20(24-10-12-26-13-11-24)15-23-21(25)16(3)27-19-8-6-17(14-22)7-9-19/h6-9,16,18,20H,4-5,10-13,15H2,1-3H3,(H,23,25).
What are the key properties of 2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide?
2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide has a molecular weight of 373.50 g/mol, XLogP of 2.58, 9 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-ethyl-2-morpholin-4-ylpentyl)propanamide is sourced from PubChem (CID 134053073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).