N-(4-fluoro-2-methylphenyl)-2-[(4-methoxy-4-methylpentan-2-yl)amino]acetamide

C16H25FN2O2 — CID 50960737

IUPACN-(4-fluoro-2-methylphenyl)-2-[(4-methoxy-4-methylpentan-2-yl)amino]acetamide
SMILESCOC(C)(C)CC(C)NCC(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C16H25FN2O2/c1-11-8-13(17)6-7-14(11)19-15(20)10-18-12(2)9-16(3,4)21-5/h6-8,12,18H,9-10H2,1-5H3,(H,19,20)
InChIKeyJOMMRXFHGSTTFT-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.87
Rot. Bonds7

About N-(4-fluoro-2-methylphenyl)-2-[(4-methoxy-4-methylpentan-2-yl)amino]acetamide

N-(4-fluoro-2-methylphenyl)-2-[(4-methoxy-4-methylpentan-2-yl)amino]acetamide (PubChem CID 50960737) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-[(4-methoxy-4-methylpentan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-[(4-methoxy-4-methylpentan-2-yl)amino]acetamide
PubChem CID50960737
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-[(4-methoxy-4-methylpentan-2-yl)amino]acetamide
SMILESCOC(C)(C)CC(C)NCC(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C16H25FN2O2/c1-11-8-13(17)6-7-14(11)19-15(20)10-18-12(2)9-16(3,4)21-5/h6-8,12,18H,9-10H2,1-5H3,(H,19,20)
InChIKeyJOMMRXFHGSTTFT-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 50875807
1-(4-fluoro-2-methylphenyl)-3-(1-methoxypropan-2-yl)urea
CID 51080192
4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide
CID 81070633
5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
CID 82016801
N-(4-fluoro-2-methylphenyl)-2-(4-methoxyphenyl)acetamide
CID 2676308
N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9370342
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024305
(2S)-2-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83195208
3-(4-fluoro-2-methylanilino)butanoic acid
CID 43536774
N-(4-fluoro-2-methylphenyl)-2-oxopropanamide
CID 143920338
2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 43467290
N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490740

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-[(4-methoxy-4-methylpentan-2-yl)amino]acetamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-[(4-methoxy-4-methylpentan-2-yl)amino]acetamide (CID 50960737) is N-(4-fluoro-2-methylphenyl)-2-[(4-methoxy-4-methylpentan-2-yl)amino]acetamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-[(4-methoxy-4-methylpentan-2-yl)amino]acetamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-[(4-methoxy-4-methylpentan-2-yl)amino]acetamide is COC(C)(C)CC(C)NCC(=O)Nc1ccc(F)cc1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-[(4-methoxy-4-methylpentan-2-yl)amino]acetamide?
The InChIKey is JOMMRXFHGSTTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-11-8-13(17)6-7-14(11)19-15(20)10-18-12(2)9-16(3,4)21-5/h6-8,12,18H,9-10H2,1-5H3,(H,19,20).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-[(4-methoxy-4-methylpentan-2-yl)amino]acetamide?
N-(4-fluoro-2-methylphenyl)-2-[(4-methoxy-4-methylpentan-2-yl)amino]acetamide has a molecular weight of 296.39 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-[(4-methoxy-4-methylpentan-2-yl)amino]acetamide is sourced from PubChem (CID 50960737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).