[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

C24H31NO6 — CID 7776550

IUPAC[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCC[C@@H](C)c1ccc(NC(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C24H31NO6/c1-6-16(2)18-8-10-19(11-9-18)25-22(26)15-31-23(27)12-7-17-13-20(28-3)24(30-5)21(14-17)29-4/h8-11,13-14,16H,6-7,12,15H2,1-5H3,(H,25,26)/t16-/m1/s1
InChIKeyVOSCGWFXQJLEKH-MRXNPFEDSA-N
MW429.51 g/mol
LogP4.34
Rot. Bonds11

About [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate (PubChem CID 7776550) has the molecular formula C24H31NO6 and a molecular weight of 429.51 g/mol. Its IUPAC name is [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
PubChem CID7776550
Molecular FormulaC24H31NO6
Molecular Weight429.51 g/mol
Exact Mass429.22
IUPAC Name[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCC[C@@H](C)c1ccc(NC(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C24H31NO6/c1-6-16(2)18-8-10-19(11-9-18)25-22(26)15-31-23(27)12-7-17-13-20(28-3)24(30-5)21(14-17)29-4/h8-11,13-14,16H,6-7,12,15H2,1-5H3,(H,25,26)/t16-/m1/s1
InChIKeyVOSCGWFXQJLEKH-MRXNPFEDSA-N
XLogP4.34
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate with MolForge

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Related Compounds

[2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019117
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776286
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503716
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019343
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705633
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253828
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 9230271
[2-(4-tert-butylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 40628747
propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 56929908
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776245
ethyl 4-(4-butan-2-ylanilino)-4-oxobutanoate
CID 60637740
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776426

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The IUPAC name of [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate (CID 7776550) is [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate.
What is the SMILES notation for [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The canonical SMILES for [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate is CC[C@@H](C)c1ccc(NC(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The InChIKey is VOSCGWFXQJLEKH-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H31NO6/c1-6-16(2)18-8-10-19(11-9-18)25-22(26)15-31-23(27)12-7-17-13-20(28-3)24(30-5)21(14-17)29-4/h8-11,13-14,16H,6-7,12,15H2,1-5H3,(H,25,26)/t16-/m1/s1.
What are the key properties of [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate has a molecular weight of 429.51 g/mol, XLogP of 4.34, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate is sourced from PubChem (CID 7776550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).