N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide

C25H32FNO4 — CID 70104515

IUPACN-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide
SMILESCOC1(c2cc(F)cc(OCc3ccc(N(C)C(=O)C(C)(C)C)cc3)c2)CCOCC1
InChIInChI=1S/C25H32FNO4/c1-24(2,3)23(28)27(4)21-8-6-18(7-9-21)17-31-22-15-19(14-20(26)16-22)25(29-5)10-12-30-13-11-25/h6-9,14-16H,10-13,17H2,1-5H3
InChIKeyQUKBGCXAMGPPBB-UHFFFAOYSA-N
MW429.53 g/mol
LogP5.07
Rot. Bonds6

About N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide

N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide (PubChem CID 70104515) has the molecular formula C25H32FNO4 and a molecular weight of 429.53 g/mol. Its IUPAC name is N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide
PubChem CID70104515
Molecular FormulaC25H32FNO4
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC NameN-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide
SMILESCOC1(c2cc(F)cc(OCc3ccc(N(C)C(=O)C(C)(C)C)cc3)c2)CCOCC1
InChIInChI=1S/C25H32FNO4/c1-24(2,3)23(28)27(4)21-8-6-18(7-9-21)17-31-22-15-19(14-20(26)16-22)25(29-5)10-12-30-13-11-25/h6-9,14-16H,10-13,17H2,1-5H3
InChIKeyQUKBGCXAMGPPBB-UHFFFAOYSA-N
XLogP5.07
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.53
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide with MolForge

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Related Compounds

N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N-methylazocane-1-carboxamide
CID 10227917
3-cyclobutyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-1-methylurea
CID 10275147
1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-3-(2-methoxyethyl)-1-methyl-3-propan-2-ylurea
CID 70120567
1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-3-[1-(hydroxymethyl)cyclopentyl]-1-methylurea
CID 10163215
1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-1-methyl-3-pentylurea
CID 70104480
1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-3-(1-methoxypropan-2-yl)-1-methylurea
CID 10204851
1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-3-(furan-2-yl)-1-methylurea
CID 10275962
N-[4-[[3-fluoro-5-(4-hydroxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2-dimethylpyrrolidine-1-carboxamide
CID 10203762
[6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-yl]hydrazine
CID 67091055
6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-3-methyl-1,3-benzothiazol-2-one
CID 14985922
2-ethyl-1-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]imidazole
CID 18920205
6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methylquinoxalin-2-one
CID 14985923

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide (CID 70104515) is N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide is COC1(c2cc(F)cc(OCc3ccc(N(C)C(=O)C(C)(C)C)cc3)c2)CCOCC1.
What is the InChIKey of N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide?
The InChIKey is QUKBGCXAMGPPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FNO4/c1-24(2,3)23(28)27(4)21-8-6-18(7-9-21)17-31-22-15-19(14-20(26)16-22)25(29-5)10-12-30-13-11-25/h6-9,14-16H,10-13,17H2,1-5H3.
What are the key properties of N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide?
N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide has a molecular weight of 429.53 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 70104515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).