3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide

C10H16F3N3O2 — CID 103367520

IUPAC3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCC(C#N)C(F)(F)F
InChIInChI=1S/C10H16F3N3O2/c1-18-5-4-16-9(17)2-3-15-7-8(6-14)10(11,12)13/h8,15H,2-5,7H2,1H3,(H,16,17)
InChIKeyOQRXGQKHIWYGRR-UHFFFAOYSA-N
MW267.25 g/mol
LogP0.43
Rot. Bonds8

About 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide

3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 103367520) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID103367520
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCC(C#N)C(F)(F)F
InChIInChI=1S/C10H16F3N3O2/c1-18-5-4-16-9(17)2-3-15-7-8(6-14)10(11,12)13/h8,15H,2-5,7H2,1H3,(H,16,17)
InChIKeyOQRXGQKHIWYGRR-UHFFFAOYSA-N
XLogP0.43
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.43
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-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide
CID 103367047
methyl 2-[(2-cyano-3,3,3-trifluoropropyl)amino]acetate
CID 103366879
2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid
CID 103263247
N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide
CID 113410009
2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide
CID 113410594
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
3,3,3-trifluoro-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]propanoic acid
CID 103263905
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
3-[(5-cyanothiophen-2-yl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115675704
methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate
CID 104645029
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
2-methoxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 112686354

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide (CID 103367520) is 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNCC(C#N)C(F)(F)F.
What is the InChIKey of 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is OQRXGQKHIWYGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c1-18-5-4-16-9(17)2-3-15-7-8(6-14)10(11,12)13/h8,15H,2-5,7H2,1H3,(H,16,17).
What are the key properties of 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide?
3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 267.25 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 103367520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).