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

C15H22F2N2O2 — CID 60956611

IUPACN-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1ccccc1OC(F)F
InChIInChI=1S/C15H22F2N2O2/c1-3-11(2)19-14(20)8-9-18-10-12-6-4-5-7-13(12)21-15(16)17/h4-7,11,15,18H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyAPIDSPNXRFHJNK-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.68
Rot. Bonds9

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

N-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide (PubChem CID 60956611) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
PubChem CID60956611
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC NameN-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
SMILESCCC(C)NC(=O)CCNCc1ccccc1OC(F)F
InChIInChI=1S/C15H22F2N2O2/c1-3-11(2)19-14(20)8-9-18-10-12-6-4-5-7-13(12)21-15(16)17/h4-7,11,15,18H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyAPIDSPNXRFHJNK-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 78977855
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
N-[(2S)-1-aminopropan-2-yl]-2-[2-(difluoromethoxy)phenyl]acetamide
CID 120505995
N-butan-2-yl-3-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide
CID 112554128
(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol
CID 111468040
2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea
CID 83109474
N-butan-2-yl-3-[(2-oxo-1H-quinolin-3-yl)methylamino]propanamide
CID 119136138
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]propanoic acid
CID 119225812
2-[2-(difluoromethoxy)phenyl]-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439694

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide?
The IUPAC name of N-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide (CID 60956611) is N-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide is CCC(C)NC(=O)CCNCc1ccccc1OC(F)F.
What is the InChIKey of N-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide?
The InChIKey is APIDSPNXRFHJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-3-11(2)19-14(20)8-9-18-10-12-6-4-5-7-13(12)21-15(16)17/h4-7,11,15,18H,3,8-10H2,1-2H3,(H,19,20).
What are the key properties of N-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide?
N-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide has a molecular weight of 300.35 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide is sourced from PubChem (CID 60956611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).