N-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide

C14H18N4O2 — CID 79665814

IUPACN-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide
SMILESN#CC1CN(CCC(=O)Nc2cccc(N)c2)CCO1
InChIInChI=1S/C14H18N4O2/c15-9-13-10-18(6-7-20-13)5-4-14(19)17-12-3-1-2-11(16)8-12/h1-3,8,13H,4-7,10,16H2,(H,17,19)
InChIKeyGCTJWIIEORHJOT-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.82
Rot. Bonds4

About N-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide

N-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide (PubChem CID 79665814) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide
PubChem CID79665814
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide
SMILESN#CC1CN(CCC(=O)Nc2cccc(N)c2)CCO1
InChIInChI=1S/C14H18N4O2/c15-9-13-10-18(6-7-20-13)5-4-14(19)17-12-3-1-2-11(16)8-12/h1-3,8,13H,4-7,10,16H2,(H,17,19)
InChIKeyGCTJWIIEORHJOT-UHFFFAOYSA-N
XLogP0.82
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-4-(2-methylmorpholin-4-yl)butanamide
CID 16779606
N-(2-amino-5-chlorophenyl)-3-(2-cyanomorpholin-4-yl)propanamide
CID 79663166
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398
N-(4-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide
CID 79663611
N-(5-amino-2-methoxyphenyl)-2-(2-cyanomorpholin-4-yl)acetamide
CID 79663165
N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63624788
N-(3-fluorophenyl)-3-[(2R)-2-[(2S)-oxolan-2-yl]morpholin-4-yl]propanamide
CID 124513966
N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28744833
3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide
CID 81497387
4-(2-cyanomorpholin-4-yl)butanehydrazide
CID 79680995
N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide
CID 63763927
N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530969

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide?
The IUPAC name of N-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide (CID 79665814) is N-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide is N#CC1CN(CCC(=O)Nc2cccc(N)c2)CCO1.
What is the InChIKey of N-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide?
The InChIKey is GCTJWIIEORHJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-9-13-10-18(6-7-20-13)5-4-14(19)17-12-3-1-2-11(16)8-12/h1-3,8,13H,4-7,10,16H2,(H,17,19).
What are the key properties of N-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide?
N-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide has a molecular weight of 274.32 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide is sourced from PubChem (CID 79665814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).