N-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide

C15H19N3O3 — CID 79835043

IUPACN-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide
SMILESCC(C(=O)Nc1cccc(C#N)c1)N1CCOC(CO)C1
InChIInChI=1S/C15H19N3O3/c1-11(18-5-6-21-14(9-18)10-19)15(20)17-13-4-2-3-12(7-13)8-16/h2-4,7,11,14,19H,5-6,9-10H2,1H3,(H,17,20)
InChIKeyIITDWTIXAZLMIR-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.58
Rot. Bonds4

About N-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide

N-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide (PubChem CID 79835043) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide
PubChem CID79835043
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide
SMILESCC(C(=O)Nc1cccc(C#N)c1)N1CCOC(CO)C1
InChIInChI=1S/C15H19N3O3/c1-11(18-5-6-21-14(9-18)10-19)15(20)17-13-4-2-3-12(7-13)8-16/h2-4,7,11,14,19H,5-6,9-10H2,1H3,(H,17,20)
InChIKeyIITDWTIXAZLMIR-UHFFFAOYSA-N
XLogP0.58
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 55565458
(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 99850769
N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083490
(2S)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)propanamide
CID 11940267
N-(3-aminophenyl)-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562298
(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide
CID 2535656
ethyl 1-[1-(3-cyanoanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 16554666
N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide
CID 64680347
(2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide
CID 9389720
(2R)-N-(3-chlorophenyl)-2-[(2S)-2-methylmorpholin-4-yl]propanamide
CID 51731055
N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562386
(2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41379703

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide?
The IUPAC name of N-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide (CID 79835043) is N-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide is CC(C(=O)Nc1cccc(C#N)c1)N1CCOC(CO)C1.
What is the InChIKey of N-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide?
The InChIKey is IITDWTIXAZLMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(18-5-6-21-14(9-18)10-19)15(20)17-13-4-2-3-12(7-13)8-16/h2-4,7,11,14,19H,5-6,9-10H2,1H3,(H,17,20).
What are the key properties of N-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide?
N-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide has a molecular weight of 289.33 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 79835043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).