3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide

C13H18F2N2O3 — CID 119715981

IUPAC3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
SMILESCOc1ccc(CNC(=O)CC(C)N)cc1OC(F)F
InChIInChI=1S/C13H18F2N2O3/c1-8(16)5-12(18)17-7-9-3-4-10(19-2)11(6-9)20-13(14)15/h3-4,6,8,13H,5,7,16H2,1-2H3,(H,17,18)
InChIKeyIUVAXOSXGRWFAE-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.65
Rot. Bonds7

About 3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide

3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide (PubChem CID 119715981) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
PubChem CID119715981
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
SMILESCOc1ccc(CNC(=O)CC(C)N)cc1OC(F)F
InChIInChI=1S/C13H18F2N2O3/c1-8(16)5-12(18)17-7-9-3-4-10(19-2)11(6-9)20-13(14)15/h3-4,6,8,13H,5,7,16H2,1-2H3,(H,17,18)
InChIKeyIUVAXOSXGRWFAE-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

3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 115154159
3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide
CID 119747528
3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide
CID 119734347
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]butanamide
CID 115154174
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
CID 38966118
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-methylpropanamide
CID 61212743
3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119766532

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide (CID 119715981) is 3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide is COc1ccc(CNC(=O)CC(C)N)cc1OC(F)F.
What is the InChIKey of 3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide?
The InChIKey is IUVAXOSXGRWFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-8(16)5-12(18)17-7-9-3-4-10(19-2)11(6-9)20-13(14)15/h3-4,6,8,13H,5,7,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide?
3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide 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 3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide is sourced from PubChem (CID 119715981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).