2,2-dimethylbutane;N-[4-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]formamide

C22H30FNO2 — CID 143927899

IUPAC2,2-dimethylbutane;N-[4-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]formamide
SMILESCCC(C)(C)C.Cc1cc(OCc2cccc(F)c2)cc(C)c1NC=O
InChIInChI=1S/C16H16FNO2.C6H14/c1-11-6-15(7-12(2)16(11)18-10-19)20-9-13-4-3-5-14(17)8-13;1-5-6(2,3)4/h3-8,10H,9H2,1-2H3,(H,18,19);5H2,1-4H3
InChIKeyDJYXZLBGGQZVPK-UHFFFAOYSA-N
MW359.49 g/mol
LogP6.03
Rot. Bonds5

About 2,2-dimethylbutane;N-[4-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]formamide

2,2-dimethylbutane;N-[4-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]formamide (PubChem CID 143927899) has the molecular formula C22H30FNO2 and a molecular weight of 359.49 g/mol. Its IUPAC name is 2,2-dimethylbutane;N-[4-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]formamide.

Molecular Properties

Compound Name2,2-dimethylbutane;N-[4-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]formamide
PubChem CID143927899
Molecular FormulaC22H30FNO2
Molecular Weight359.49 g/mol
Exact Mass359.23
IUPAC Name2,2-dimethylbutane;N-[4-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]formamide
SMILESCCC(C)(C)C.Cc1cc(OCc2cccc(F)c2)cc(C)c1NC=O
InChIInChI=1S/C16H16FNO2.C6H14/c1-11-6-15(7-12(2)16(11)18-10-19)20-9-13-4-3-5-14(17)8-13;1-5-6(2,3)4/h3-8,10H,9H2,1-2H3,(H,18,19);5H2,1-4H3
InChIKeyDJYXZLBGGQZVPK-UHFFFAOYSA-N
XLogP6.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylbutane;4-[(4-fluorophenyl)methoxy]-N,2,6-trimethylaniline;formaldehyde
CID 143927879
[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid
CID 83139837
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
3-[3-[(3-fluorophenyl)methoxy]-5-methylphenoxy]-5-methylphenol
CID 175589747
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126116240
5-[[4-[(3-fluorophenyl)methoxy]anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168538755
ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate
CID 110359980
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3,5,5-trimethylhexan-1-one
CID 146006669
1-butyl-4-[(3-fluorophenyl)methoxy]benzene
CID 162218759
1-fluoro-3-[(3-fluorophenyl)methoxy]-5-propan-2-ylbenzene
CID 167222708

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;N-[4-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]formamide?
The IUPAC name of 2,2-dimethylbutane;N-[4-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]formamide (CID 143927899) is 2,2-dimethylbutane;N-[4-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]formamide.
What is the SMILES notation for 2,2-dimethylbutane;N-[4-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]formamide?
The canonical SMILES for 2,2-dimethylbutane;N-[4-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]formamide is CCC(C)(C)C.Cc1cc(OCc2cccc(F)c2)cc(C)c1NC=O.
What is the InChIKey of 2,2-dimethylbutane;N-[4-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]formamide?
The InChIKey is DJYXZLBGGQZVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2.C6H14/c1-11-6-15(7-12(2)16(11)18-10-19)20-9-13-4-3-5-14(17)8-13;1-5-6(2,3)4/h3-8,10H,9H2,1-2H3,(H,18,19);5H2,1-4H3.
What are the key properties of 2,2-dimethylbutane;N-[4-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]formamide?
2,2-dimethylbutane;N-[4-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]formamide has a molecular weight of 359.49 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;N-[4-[(3-fluorophenyl)methoxy]-2,6-dimethylphenyl]formamide is sourced from PubChem (CID 143927899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).