[(2S)-3-(3-ethenylphenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate

C24H30N2O4 — CID 90280491

IUPAC[(2S)-3-(3-ethenylphenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate
SMILESC=Cc1cccc(C[C@H](OC(=O)NC(C)(C)C)C(=O)N(C)c2ccc(OC)cc2)c1
InChIInChI=1S/C24H30N2O4/c1-7-17-9-8-10-18(15-17)16-21(30-23(28)25-24(2,3)4)22(27)26(5)19-11-13-20(29-6)14-12-19/h7-15,21H,1,16H2,2-6H3,(H,25,28)/t21-/m0/s1
InChIKeyJVSLLWLDABUFLP-NRFANRHFSA-N
MW410.51 g/mol
LogP4.44
Rot. Bonds7

About [(2S)-3-(3-ethenylphenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate

[(2S)-3-(3-ethenylphenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate (PubChem CID 90280491) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is [(2S)-3-(3-ethenylphenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2S)-3-(3-ethenylphenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate
PubChem CID90280491
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name[(2S)-3-(3-ethenylphenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate
SMILESC=Cc1cccc(C[C@H](OC(=O)NC(C)(C)C)C(=O)N(C)c2ccc(OC)cc2)c1
InChIInChI=1S/C24H30N2O4/c1-7-17-9-8-10-18(15-17)16-21(30-23(28)25-24(2,3)4)22(27)26(5)19-11-13-20(29-6)14-12-19/h7-15,21H,1,16H2,2-6H3,(H,25,28)/t21-/m0/s1
InChIKeyJVSLLWLDABUFLP-NRFANRHFSA-N
XLogP4.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-3-(3-ethenylphenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate with MolForge

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Related Compounds

[(2S)-3-(3,5-difluorophenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate
CID 175228183
tert-butyl N-[3-(3-bromophenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl]carbamate
CID 90312340
N'-[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]propanediamide
CID 134344773
tert-butyl N-[2-[[1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate
CID 175242308
CID 90325553
CID 90325553
tert-butyl N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-4-phenylbutan-2-yl]carbamate;molecular hydrogen
CID 144836107
[(2R)-1-oxo-3-phenyl-1-(quinolin-3-ylamino)propan-2-yl] N-tert-butylcarbamate
CID 177445632
[2-(3-butoxyphenyl)-1-phenylethyl] N-tert-butylcarbamate
CID 90837763
1-N,4-N-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzene-1,4-dicarboxamide
CID 122647174
tert-butyl N-[1-[[1-(3-ethenylphenyl)-2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
CID 18066529
N-[(2S)-3-[3-(ethylsulfanylmethyl)phenyl]-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl]butanamide
CID 130286130
(E)-N,N'-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-3-methylpent-2-enediamide
CID 122647392

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(3-ethenylphenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [(2S)-3-(3-ethenylphenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate (CID 90280491) is [(2S)-3-(3-ethenylphenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2S)-3-(3-ethenylphenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2S)-3-(3-ethenylphenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate is C=Cc1cccc(C[C@H](OC(=O)NC(C)(C)C)C(=O)N(C)c2ccc(OC)cc2)c1.
What is the InChIKey of [(2S)-3-(3-ethenylphenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate?
The InChIKey is JVSLLWLDABUFLP-NRFANRHFSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-7-17-9-8-10-18(15-17)16-21(30-23(28)25-24(2,3)4)22(27)26(5)19-11-13-20(29-6)14-12-19/h7-15,21H,1,16H2,2-6H3,(H,25,28)/t21-/m0/s1.
What are the key properties of [(2S)-3-(3-ethenylphenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate?
[(2S)-3-(3-ethenylphenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate has a molecular weight of 410.51 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(3-ethenylphenyl)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 90280491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).