2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide

C15H22F2N2O2 — CID 78701766

IUPAC2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H22F2N2O2/c1-10(2)18-14(20)11(3)19(4)9-12-5-7-13(8-6-12)21-15(16)17/h5-8,10-11,15H,9H2,1-4H3,(H,18,20)
InChIKeyDRVGWCRQSIJTFZ-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.63
Rot. Bonds7

About 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide

2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide (PubChem CID 78701766) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
PubChem CID78701766
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H22F2N2O2/c1-10(2)18-14(20)11(3)19(4)9-12-5-7-13(8-6-12)21-15(16)17/h5-8,10-11,15H,9H2,1-4H3,(H,18,20)
InChIKeyDRVGWCRQSIJTFZ-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide
CID 7995629
N-[2-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 18094148
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide
CID 86918893
N-(2-cyanophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 51168369
N-(3-chloro-4-fluorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 18274343
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 134038490
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
CID 115587549
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 51255380
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 51168376
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993
2-[[3-(difluoromethoxy)phenyl]methyl-methylamino]propanoic acid
CID 119134927
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide (CID 78701766) is 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N(C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide?
The InChIKey is DRVGWCRQSIJTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-10(2)18-14(20)11(3)19(4)9-12-5-7-13(8-6-12)21-15(16)17/h5-8,10-11,15H,9H2,1-4H3,(H,18,20).
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide?
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide has a molecular weight of 300.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 78701766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).