methyl 3-(3,3-diphenylpropylcarbamoylamino)benzoate

C24H24N2O3 — CID 3781744

IUPACmethyl 3-(3,3-diphenylpropylcarbamoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H24N2O3/c1-29-23(27)20-13-8-14-21(17-20)26-24(28)25-16-15-22(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,17,22H,15-16H2,1H3,(H2,25,26,28)
InChIKeyMAOYLEQQPONTPY-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.82
Rot. Bonds7

About methyl 3-(3,3-diphenylpropylcarbamoylamino)benzoate

methyl 3-(3,3-diphenylpropylcarbamoylamino)benzoate (PubChem CID 3781744) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is methyl 3-(3,3-diphenylpropylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(3,3-diphenylpropylcarbamoylamino)benzoate
PubChem CID3781744
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Namemethyl 3-(3,3-diphenylpropylcarbamoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H24N2O3/c1-29-23(27)20-13-8-14-21(17-20)26-24(28)25-16-15-22(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,17,22H,15-16H2,1H3,(H2,25,26,28)
InChIKeyMAOYLEQQPONTPY-UHFFFAOYSA-N
XLogP4.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,3-diphenylpropylcarbamoylamino)benzoate?
The IUPAC name of methyl 3-(3,3-diphenylpropylcarbamoylamino)benzoate (CID 3781744) is methyl 3-(3,3-diphenylpropylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 3-(3,3-diphenylpropylcarbamoylamino)benzoate?
The canonical SMILES for methyl 3-(3,3-diphenylpropylcarbamoylamino)benzoate is COC(=O)c1cccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of methyl 3-(3,3-diphenylpropylcarbamoylamino)benzoate?
The InChIKey is MAOYLEQQPONTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-29-23(27)20-13-8-14-21(17-20)26-24(28)25-16-15-22(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,17,22H,15-16H2,1H3,(H2,25,26,28).
What are the key properties of methyl 3-(3,3-diphenylpropylcarbamoylamino)benzoate?
methyl 3-(3,3-diphenylpropylcarbamoylamino)benzoate has a molecular weight of 388.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,3-diphenylpropylcarbamoylamino)benzoate is sourced from PubChem (CID 3781744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).