2-[2-ethylbutyl-[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide

C28H37FN2O3 — CID 86343345

IUPAC2-[2-ethylbutyl-[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCC(CC)CN(C(=O)Cc1ccc(F)cc1)C(C(=O)NCC1CCCO1)c1ccc(C)cc1
InChIInChI=1S/C28H37FN2O3/c1-4-21(5-2)19-31(26(32)17-22-10-14-24(29)15-11-22)27(23-12-8-20(3)9-13-23)28(33)30-18-25-7-6-16-34-25/h8-15,21,25,27H,4-7,16-19H2,1-3H3,(H,30,33)
InChIKeyCQRJDARUMWFTFY-UHFFFAOYSA-N
MW468.61 g/mol
LogP4.98
Rot. Bonds11

About 2-[2-ethylbutyl-[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide

2-[2-ethylbutyl-[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 86343345) has the molecular formula C28H37FN2O3 and a molecular weight of 468.61 g/mol. Its IUPAC name is 2-[2-ethylbutyl-[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-ethylbutyl-[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID86343345
Molecular FormulaC28H37FN2O3
Molecular Weight468.61 g/mol
Exact Mass468.28
IUPAC Name2-[2-ethylbutyl-[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCC(CC)CN(C(=O)Cc1ccc(F)cc1)C(C(=O)NCC1CCCO1)c1ccc(C)cc1
InChIInChI=1S/C28H37FN2O3/c1-4-21(5-2)19-31(26(32)17-22-10-14-24(29)15-11-22)27(23-12-8-20(3)9-13-23)28(33)30-18-25-7-6-16-34-25/h8-15,21,25,27H,4-7,16-19H2,1-3H3,(H,30,33)
InChIKeyCQRJDARUMWFTFY-UHFFFAOYSA-N
XLogP4.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-[1-(4-methylphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]propanamide
CID 86342587
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 133238029
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 133237757
(2S)-2-[(4-fluorophenyl)methyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 125046992
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
4-amino-5-N-(4-fluorophenyl)-5-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25450369
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-2-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 25312827
N-[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(3-methylphenyl)-5-(morpholin-4-ylmethyl)furan-2-carboxamide
CID 3174552
2,2,2-trifluoro-N-[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N-phenylacetamide
CID 25318494
N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide
CID 133237090
ethyl 2-[[1-(4-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]amino]acetate
CID 3174998
N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-oxo-1-(oxolan-2-ylmethylamino)-3-phenylpropan-2-yl]propanamide
CID 133215130

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethylbutyl-[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-ethylbutyl-[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide (CID 86343345) is 2-[2-ethylbutyl-[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-ethylbutyl-[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-ethylbutyl-[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide is CCC(CC)CN(C(=O)Cc1ccc(F)cc1)C(C(=O)NCC1CCCO1)c1ccc(C)cc1.
What is the InChIKey of 2-[2-ethylbutyl-[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is CQRJDARUMWFTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FN2O3/c1-4-21(5-2)19-31(26(32)17-22-10-14-24(29)15-11-22)27(23-12-8-20(3)9-13-23)28(33)30-18-25-7-6-16-34-25/h8-15,21,25,27H,4-7,16-19H2,1-3H3,(H,30,33).
What are the key properties of 2-[2-ethylbutyl-[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide?
2-[2-ethylbutyl-[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 468.61 g/mol, XLogP of 4.98, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethylbutyl-[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 86343345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).