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Fenbutrazate

C23H29NO3 — CID 20395

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate
SMILESCCC(C(=O)OCCN1CCOC(c2ccccc2)C1C)c1ccccc1
InChIInChI=1S/C23H29NO3/c1-3-21(19-10-6-4-7-11-19)23(25)27-17-15-24-14-16-26-22(18(24)2)20-12-8-5-9-13-20/h4-13,18,21-22H,3,14-17H2,1-2H3
InChIKeyBAQKJENAVQLANS-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.19
Rot. Bonds7

About Fenbutrazate

Fenbutrazate (PubChem CID 20395) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate.

Molecular Properties

Compound NameFenbutrazate
PubChem CID20395
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate
SMILESCCC(C(=O)OCCN1CCOC(c2ccccc2)C1C)c1ccccc1
InChIInChI=1S/C23H29NO3/c1-3-21(19-10-6-4-7-11-19)23(25)27-17-15-24-14-16-26-22(18(24)2)20-12-8-5-9-13-20/h4-13,18,21-22H,3,14-17H2,1-2H3
InChIKeyBAQKJENAVQLANS-UHFFFAOYSA-N
XLogP4.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(6-methoxynaphthalen-2-yl)-3-methylmorpholin-4-yl]ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 141129252
2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethyl 2-[4-(2-methylpropyl)phenyl]propanoate;hydrochloride
CID 141298282
1-[(2R,3S)-3-methyl-2-phenylmorpholin-4-yl]-4-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]butane-1,4-dione
CID 40782270
butanedioic acid;(2S,3S)-3,4-dimethyl-2-phenylmorpholine
CID 76960510
amino 2-phenylbutanoate
CID 21430295
2,3-dihydroxybutanedioic acid;(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydrate
CID 173400053
aminomethyl 2-phenylbutanoate
CID 175260963
ethyl 2-phenylbutanoate;sulfane
CID 174662373
nonyl 2-phenylbutanoate
CID 91710335
1-[(2S,3R)-3-methyl-2-phenylmorpholin-4-yl]ethanone
CID 92843868
hexyl (2R)-2-phenylbutanoate
CID 10729236
(2S,3S)-3-methyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]-2-phenylmorpholine
CID 11889232

Frequently Asked Questions

What is the IUPAC name of Fenbutrazate?
The IUPAC name of Fenbutrazate (CID 20395) is 2-(3-methyl-2-phenylmorpholin-4-yl)ethyl 2-phenylbutanoate.
What is the SMILES notation for Fenbutrazate?
The canonical SMILES for Fenbutrazate is CCC(C(=O)OCCN1CCOC(c2ccccc2)C1C)c1ccccc1.
What is the InChIKey of Fenbutrazate?
The InChIKey is BAQKJENAVQLANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-3-21(19-10-6-4-7-11-19)23(25)27-17-15-24-14-16-26-22(18(24)2)20-12-8-5-9-13-20/h4-13,18,21-22H,3,14-17H2,1-2H3.
What are the key properties of Fenbutrazate?
Fenbutrazate has a molecular weight of 367.49 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Fenbutrazate is sourced from PubChem (CID 20395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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