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

C15H21N3O2 — CID 60919147

IUPAC2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NC(C)c1ccc(C#N)cc1
InChIInChI=1S/C15H21N3O2/c1-11(14-6-4-13(10-16)5-7-14)18-12(2)15(19)17-8-9-20-3/h4-7,11-12,18H,8-9H2,1-3H3,(H,17,19)
InChIKeyBBTOQYCUPLERSO-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.36
Rot. Bonds7

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

2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 60919147) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
PubChem CID60919147
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)NC(C)c1ccc(C#N)cc1
InChIInChI=1S/C15H21N3O2/c1-11(14-6-4-13(10-16)5-7-14)18-12(2)15(19)17-8-9-20-3/h4-7,11-12,18H,8-9H2,1-3H3,(H,17,19)
InChIKeyBBTOQYCUPLERSO-UHFFFAOYSA-N
XLogP1.36
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81359885
3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115905492
methyl (2S)-2-[1-(4-cyanophenyl)ethylamino]propanoate
CID 43723691
2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide
CID 54936564
N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide
CID 43524055
methyl 2-[1-(4-cyanophenyl)ethylamino]-4-methylpentanoate
CID 43689035
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
2-[1-(4-cyanophenyl)ethylamino]ethyl carbamate
CID 83209725
2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide
CID 60744778
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 114766588
4-[1-(propan-2-ylamino)ethyl]benzonitrile
CID 43190054
ethyl (2R)-2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]butanoate
CID 66652843

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide (CID 60919147) is 2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)NC(C)c1ccc(C#N)cc1.
What is the InChIKey of 2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is BBTOQYCUPLERSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(14-6-4-13(10-16)5-7-14)18-12(2)15(19)17-8-9-20-3/h4-7,11-12,18H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide?
2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 60919147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).