methyl 4-[(R)-benzamido-[(1R,2R)-2-butylcyclopropyl]methyl]benzoate

C23H27NO3 — CID 3247412

IUPACmethyl 4-[(R)-benzamido-[(1R,2R)-2-butylcyclopropyl]methyl]benzoate
SMILESCCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccccc1)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C23H27NO3/c1-3-4-8-19-15-20(19)21(24-22(25)17-9-6-5-7-10-17)16-11-13-18(14-12-16)23(26)27-2/h5-7,9-14,19-21H,3-4,8,15H2,1-2H3,(H,24,25)/t19-,20-,21+/m1/s1
InChIKeyZMSDHYXFUJUMDA-NJYVYQBISA-N
MW365.47 g/mol
LogP4.77
Rot. Bonds8

About methyl 4-[(R)-benzamido-[(1R,2R)-2-butylcyclopropyl]methyl]benzoate

methyl 4-[(R)-benzamido-[(1R,2R)-2-butylcyclopropyl]methyl]benzoate (PubChem CID 3247412) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is methyl 4-[(R)-benzamido-[(1R,2R)-2-butylcyclopropyl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(R)-benzamido-[(1R,2R)-2-butylcyclopropyl]methyl]benzoate
PubChem CID3247412
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Namemethyl 4-[(R)-benzamido-[(1R,2R)-2-butylcyclopropyl]methyl]benzoate
SMILESCCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccccc1)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C23H27NO3/c1-3-4-8-19-15-20(19)21(24-22(25)17-9-6-5-7-10-17)16-11-13-18(14-12-16)23(26)27-2/h5-7,9-14,19-21H,3-4,8,15H2,1-2H3,(H,24,25)/t19-,20-,21+/m1/s1
InChIKeyZMSDHYXFUJUMDA-NJYVYQBISA-N
XLogP4.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(R)-benzamido-[(1R,2R)-2-butylcyclopropyl]methyl]benzoate?
The IUPAC name of methyl 4-[(R)-benzamido-[(1R,2R)-2-butylcyclopropyl]methyl]benzoate (CID 3247412) is methyl 4-[(R)-benzamido-[(1R,2R)-2-butylcyclopropyl]methyl]benzoate.
What is the SMILES notation for methyl 4-[(R)-benzamido-[(1R,2R)-2-butylcyclopropyl]methyl]benzoate?
The canonical SMILES for methyl 4-[(R)-benzamido-[(1R,2R)-2-butylcyclopropyl]methyl]benzoate is CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccccc1)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[(R)-benzamido-[(1R,2R)-2-butylcyclopropyl]methyl]benzoate?
The InChIKey is ZMSDHYXFUJUMDA-NJYVYQBISA-N. The full InChI is InChI=1S/C23H27NO3/c1-3-4-8-19-15-20(19)21(24-22(25)17-9-6-5-7-10-17)16-11-13-18(14-12-16)23(26)27-2/h5-7,9-14,19-21H,3-4,8,15H2,1-2H3,(H,24,25)/t19-,20-,21+/m1/s1.
What are the key properties of methyl 4-[(R)-benzamido-[(1R,2R)-2-butylcyclopropyl]methyl]benzoate?
methyl 4-[(R)-benzamido-[(1R,2R)-2-butylcyclopropyl]methyl]benzoate has a molecular weight of 365.47 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(R)-benzamido-[(1R,2R)-2-butylcyclopropyl]methyl]benzoate is sourced from PubChem (CID 3247412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).