N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide

C14H18F2N2O2 — CID 78977855

IUPACN-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
SMILESO=C(CCNCc1ccccc1OC(F)F)NC1CC1
InChIInChI=1S/C14H18F2N2O2/c15-14(16)20-12-4-2-1-3-10(12)9-17-8-7-13(19)18-11-5-6-11/h1-4,11,14,17H,5-9H2,(H,18,19)
InChIKeyNSQVBSYZSYNUMZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.05
Rot. Bonds8

About N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide

N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide (PubChem CID 78977855) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
PubChem CID78977855
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
SMILESO=C(CCNCc1ccccc1OC(F)F)NC1CC1
InChIInChI=1S/C14H18F2N2O2/c15-14(16)20-12-4-2-1-3-10(12)9-17-8-7-13(19)18-11-5-6-11/h1-4,11,14,17H,5-9H2,(H,18,19)
InChIKeyNSQVBSYZSYNUMZ-UHFFFAOYSA-N
XLogP2.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 60956611
N-cyclopentyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109013439
2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide
CID 79395029
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020883
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea
CID 83109474
4-[[2-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylbutanamide
CID 112731938
3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
CID 86915882
N-cyclohexyl-2-[[N-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111865007
N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide
CID 62627188
N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide
CID 112731367

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide (CID 78977855) is N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide is O=C(CCNCc1ccccc1OC(F)F)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide?
The InChIKey is NSQVBSYZSYNUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-14(16)20-12-4-2-1-3-10(12)9-17-8-7-13(19)18-11-5-6-11/h1-4,11,14,17H,5-9H2,(H,18,19).
What are the key properties of N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide?
N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide has a molecular weight of 284.31 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide is sourced from PubChem (CID 78977855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).