ethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate

C18H27NO5 — CID 97352162

IUPACethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate
SMILESCCOC(=O)C[C@@](C)(O)CNC(=O)CCCc1ccc(OC)cc1
InChIInChI=1S/C18H27NO5/c1-4-24-17(21)12-18(2,22)13-19-16(20)7-5-6-14-8-10-15(23-3)11-9-14/h8-11,22H,4-7,12-13H2,1-3H3,(H,19,20)/t18-/m1/s1
InChIKeyGXGSFRRNVIEKEA-GOSISDBHSA-N
MW337.42 g/mol
LogP1.84
Rot. Bonds10

About ethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate

ethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate (PubChem CID 97352162) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate.

Molecular Properties

Compound Nameethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate
PubChem CID97352162
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Nameethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate
SMILESCCOC(=O)C[C@@](C)(O)CNC(=O)CCCc1ccc(OC)cc1
InChIInChI=1S/C18H27NO5/c1-4-24-17(21)12-18(2,22)13-19-16(20)7-5-6-14-8-10-15(23-3)11-9-14/h8-11,22H,4-7,12-13H2,1-3H3,(H,19,20)/t18-/m1/s1
InChIKeyGXGSFRRNVIEKEA-GOSISDBHSA-N
XLogP1.84
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate
CID 79848371
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
CID 103839704
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide
CID 65112662
3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 66001117
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
4-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500056
2-(4-ethoxyphenoxy)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498249
N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100700105
3-hydroxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 66001139
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate?
The IUPAC name of ethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate (CID 97352162) is ethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate.
What is the SMILES notation for ethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate?
The canonical SMILES for ethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate is CCOC(=O)C[C@@](C)(O)CNC(=O)CCCc1ccc(OC)cc1.
What is the InChIKey of ethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate?
The InChIKey is GXGSFRRNVIEKEA-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27NO5/c1-4-24-17(21)12-18(2,22)13-19-16(20)7-5-6-14-8-10-15(23-3)11-9-14/h8-11,22H,4-7,12-13H2,1-3H3,(H,19,20)/t18-/m1/s1.
What are the key properties of ethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate?
ethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate has a molecular weight of 337.42 g/mol, XLogP of 1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate is sourced from PubChem (CID 97352162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).