3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide

C15H21N3O2 — CID 115905492

IUPAC3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(C)c1ccc(C#N)cc1
InChIInChI=1S/C15H21N3O2/c1-12(14-5-3-13(11-16)4-6-14)17-8-7-15(19)18-9-10-20-2/h3-6,12,17H,7-10H2,1-2H3,(H,18,19)
InChIKeyLLSJASGPXRORDN-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.36
Rot. Bonds8

About 3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide

3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 115905492) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
PubChem CID115905492
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(C)c1ccc(C#N)cc1
InChIInChI=1S/C15H21N3O2/c1-12(14-5-3-13(11-16)4-6-14)17-8-7-15(19)18-9-10-20-2/h3-6,12,17H,7-10H2,1-2H3,(H,18,19)
InChIKeyLLSJASGPXRORDN-UHFFFAOYSA-N
XLogP1.36
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 115712008
2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 60919147
3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115667940
3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934619
2-[1-(4-cyanophenyl)ethylamino]ethyl carbamate
CID 83209725
4-[1-(4-cyanophenyl)ethylamino]-N-methylbutanamide
CID 63892264
4-[1-[(3-hydroxy-4-methoxybutyl)amino]ethyl]benzonitrile
CID 103922135
2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]ethyl butanoate
CID 174681096
N-(2-methoxyethyl)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]acetamide
CID 81371226
3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 112700216
2-[4-[1-(ethylamino)ethyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 61487528
N-(2-methoxyethyl)-3-[1-(3-methylpyrazin-2-yl)ethylamino]propanamide
CID 102612509

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide (CID 115905492) is 3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNC(C)c1ccc(C#N)cc1.
What is the InChIKey of 3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is LLSJASGPXRORDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(14-5-3-13(11-16)4-6-14)17-8-7-15(19)18-9-10-20-2/h3-6,12,17H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide?
3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115905492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).