ethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate

C24H31NO4 — CID 10715833

IUPACethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccccc1-c1cccc(CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C24H31NO4/c1-5-28-22(26)14-13-19-10-6-7-12-21(19)20-11-8-9-18(17-20)15-16-25-23(27)29-24(2,3)4/h6-12,17H,5,13-16H2,1-4H3,(H,25,27)
InChIKeyLMQAPMBGSKNAQJ-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.92
Rot. Bonds8

About ethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate

ethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate (PubChem CID 10715833) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is ethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate
PubChem CID10715833
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Nameethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccccc1-c1cccc(CCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C24H31NO4/c1-5-28-22(26)14-13-19-10-6-7-12-21(19)20-11-8-9-18(17-20)15-16-25-23(27)29-24(2,3)4/h6-12,17H,5,13-16H2,1-4H3,(H,25,27)
InChIKeyLMQAPMBGSKNAQJ-UHFFFAOYSA-N
XLogP4.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[3-[4-methoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]phenyl]propanoate
CID 59219235
tert-butyl N-[2-[3-(3-carbamoylphenyl)phenyl]ethyl]carbamate
CID 59316412
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]carbamate
CID 68603052
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
methyl 3-[3,4-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propanoate
CID 135022691
ethyl 4-(2-phenylphenyl)butanoate
CID 67832505
benzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate
CID 170456529
ethyl 3-[2-(2-hydroxyphenyl)phenyl]propanoate
CID 67626781
tert-butyl N-[2-[2-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 141182923

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate?
The IUPAC name of ethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate (CID 10715833) is ethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate?
The canonical SMILES for ethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate is CCOC(=O)CCc1ccccc1-c1cccc(CCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of ethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate?
The InChIKey is LMQAPMBGSKNAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO4/c1-5-28-22(26)14-13-19-10-6-7-12-21(19)20-11-8-9-18(17-20)15-16-25-23(27)29-24(2,3)4/h6-12,17H,5,13-16H2,1-4H3,(H,25,27).
What are the key properties of ethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate?
ethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate has a molecular weight of 397.52 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate is sourced from PubChem (CID 10715833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).