N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide

C14H19F2NO3 — CID 46450594

IUPACN-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(NC(=O)CC(C)(C)C)cc1OC(F)F
InChIInChI=1S/C14H19F2NO3/c1-14(2,3)8-12(18)17-9-5-6-10(19-4)11(7-9)20-13(15)16/h5-7,13H,8H2,1-4H3,(H,17,18)
InChIKeyPMHGASASWFSWIE-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.67
Rot. Bonds5

About N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide

N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide (PubChem CID 46450594) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
PubChem CID46450594
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(NC(=O)CC(C)(C)C)cc1OC(F)F
InChIInChI=1S/C14H19F2NO3/c1-14(2,3)8-12(18)17-9-5-6-10(19-4)11(7-9)20-13(15)16/h5-7,13H,8H2,1-4H3,(H,17,18)
InChIKeyPMHGASASWFSWIE-UHFFFAOYSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827
1-tert-butyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 78842481
3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
CID 18272953
4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
CID 43712833
3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 64684929
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 46540426
2-(2,4-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 55539749
3-[[2-[3-(difluoromethoxy)-4-methoxyanilino]acetyl]amino]-N,N-dimethylbenzamide
CID 55565701
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 24660317
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 46540432
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465635

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide (CID 46450594) is N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide is COc1ccc(NC(=O)CC(C)(C)C)cc1OC(F)F.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide?
The InChIKey is PMHGASASWFSWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-14(2,3)8-12(18)17-9-5-6-10(19-4)11(7-9)20-13(15)16/h5-7,13H,8H2,1-4H3,(H,17,18).
What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide?
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide has a molecular weight of 287.31 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 46450594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).