2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide

C13H18F2N2O3 — CID 61212743

IUPAC2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide
SMILESCOc1ccc(CNC(C)(C)C(N)=O)cc1OC(F)F
InChIInChI=1S/C13H18F2N2O3/c1-13(2,11(16)18)17-7-8-4-5-9(19-3)10(6-8)20-12(14)15/h4-6,12,17H,7H2,1-3H3,(H2,16,18)
InChIKeyDMHAHALDJVDJHC-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.65
Rot. Bonds7

About 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide

2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide (PubChem CID 61212743) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide
PubChem CID61212743
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide
SMILESCOc1ccc(CNC(C)(C)C(N)=O)cc1OC(F)F
InChIInChI=1S/C13H18F2N2O3/c1-13(2,11(16)18)17-7-8-4-5-9(19-3)10(6-8)20-12(14)15/h4-6,12,17H,7H2,1-3H3,(H2,16,18)
InChIKeyDMHAHALDJVDJHC-UHFFFAOYSA-N
XLogP1.65
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-ethylpentan-3-amine
CID 65039727
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 60760640
3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 119715981
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide
CID 61057407
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide
CID 43214494
2-[(4-methoxyphenyl)methylamino]-2-methylpropanamide
CID 61212921
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
CID 38966118
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline
CID 78851352
3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol
CID 62058897
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]pentanoic acid
CID 65054789
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,3,3-trifluoropropan-1-amine
CID 63226297

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide?
The IUPAC name of 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide (CID 61212743) is 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide?
The canonical SMILES for 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide is COc1ccc(CNC(C)(C)C(N)=O)cc1OC(F)F.
What is the InChIKey of 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide?
The InChIKey is DMHAHALDJVDJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-13(2,11(16)18)17-7-8-4-5-9(19-3)10(6-8)20-12(14)15/h4-6,12,17H,7H2,1-3H3,(H2,16,18).
What are the key properties of 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide?
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide has a molecular weight of 288.29 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide is sourced from PubChem (CID 61212743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).