3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide

C15H19N3O2 — CID 79386301

IUPAC3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide
SMILESN#CCOc1cccc(CNCCC(=O)NC2CC2)c1
InChIInChI=1S/C15H19N3O2/c16-7-9-20-14-3-1-2-12(10-14)11-17-8-6-15(19)18-13-4-5-13/h1-3,10,13,17H,4-6,8-9,11H2,(H,18,19)
InChIKeySSEFZXKWDGZIAP-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.35
Rot. Bonds8

About 3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide

3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide (PubChem CID 79386301) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide
PubChem CID79386301
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide
SMILESN#CCOc1cccc(CNCCC(=O)NC2CC2)c1
InChIInChI=1S/C15H19N3O2/c16-7-9-20-14-3-1-2-12(10-14)11-17-8-6-15(19)18-13-4-5-13/h1-3,10,13,17H,4-6,8-9,11H2,(H,18,19)
InChIKeySSEFZXKWDGZIAP-UHFFFAOYSA-N
XLogP1.35
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.35
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

4-[[3-(cyanomethoxy)phenyl]methylamino]butanoic acid
CID 54920383
2-[3-[(cyclopropylmethylamino)methyl]phenoxy]acetonitrile
CID 43756743
4-[[3-(cyanomethoxy)phenyl]methylamino]cyclohexane-1-carboxamide
CID 43791650
N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013435
N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013960
2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile
CID 63725761
2-[3-[[3-(2-methoxyethoxy)propylamino]methyl]phenoxy]acetonitrile
CID 43770866
4-[[2-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylbutanamide
CID 112731938
2-[3-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]acetonitrile
CID 60874118
2-[3-[[(3-methylcyclopentyl)amino]methyl]phenoxy]acetonitrile
CID 113243187
1-[3-(cyanomethoxy)phenyl]-3-(4-methylcyclohexyl)urea
CID 51116767
4-bromo-N-[3-[[3-(cyanomethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 86946585

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide (CID 79386301) is 3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide is N#CCOc1cccc(CNCCC(=O)NC2CC2)c1.
What is the InChIKey of 3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide?
The InChIKey is SSEFZXKWDGZIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-7-9-20-14-3-1-2-12(10-14)11-17-8-6-15(19)18-13-4-5-13/h1-3,10,13,17H,4-6,8-9,11H2,(H,18,19).
What are the key properties of 3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide?
3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 79386301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).