methyl 3-[(R)-benzamido(phenyl)methyl]-1-benzylindole-5-carboxylate

C31H26N2O3 — CID 102319711

IUPACmethyl 3-[(R)-benzamido(phenyl)methyl]-1-benzylindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c([C@H](NC(=O)c1ccccc1)c1ccccc1)cn2Cc1ccccc1
InChIInChI=1S/C31H26N2O3/c1-36-31(35)25-17-18-28-26(19-25)27(21-33(28)20-22-11-5-2-6-12-22)29(23-13-7-3-8-14-23)32-30(34)24-15-9-4-10-16-24/h2-19,21,29H,20H2,1H3,(H,32,34)/t29-/m1/s1
InChIKeyHIEGIRFCXFKCHD-GDLZYMKVSA-N
MW474.56 g/mol
LogP6.00
Rot. Bonds7

About methyl 3-[(R)-benzamido(phenyl)methyl]-1-benzylindole-5-carboxylate

methyl 3-[(R)-benzamido(phenyl)methyl]-1-benzylindole-5-carboxylate (PubChem CID 102319711) has the molecular formula C31H26N2O3 and a molecular weight of 474.56 g/mol. Its IUPAC name is methyl 3-[(R)-benzamido(phenyl)methyl]-1-benzylindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(R)-benzamido(phenyl)methyl]-1-benzylindole-5-carboxylate
PubChem CID102319711
Molecular FormulaC31H26N2O3
Molecular Weight474.56 g/mol
Exact Mass474.19
IUPAC Namemethyl 3-[(R)-benzamido(phenyl)methyl]-1-benzylindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c([C@H](NC(=O)c1ccccc1)c1ccccc1)cn2Cc1ccccc1
InChIInChI=1S/C31H26N2O3/c1-36-31(35)25-17-18-28-26(19-25)27(21-33(28)20-22-11-5-2-6-12-22)29(23-13-7-3-8-14-23)32-30(34)24-15-9-4-10-16-24/h2-19,21,29H,20H2,1H3,(H,32,34)/t29-/m1/s1
InChIKeyHIEGIRFCXFKCHD-GDLZYMKVSA-N
XLogP6.00
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(1-benzylindol-3-yl)-(4-fluorophenyl)methyl]benzamide
CID 102319703
methyl (4S)-4-(1-benzylindol-3-yl)-2-oxo-4-phenylbutanoate
CID 134944904
methyl 4-[(3-methylindol-1-yl)methyl]benzoate
CID 43316679
methyl 2-benzyl-4-phenylpyrrolo[3,4-b]indole-7-carboxylate
CID 157037213
(3S)-3-(1-benzyl-5-nitroindol-3-yl)-N-[(2R)-3-methylbutan-2-yl]-3-phenylpropanamide
CID 93120172
4-[(2-methylimidazol-1-yl)methyl]-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 46776702
3-methyl-N-[(1S)-1-(4-nitrophenyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 71099487
methyl 4-[3-[(3-bromoindol-1-yl)methyl]phenyl]benzoate
CID 141206691
(3S)-3-(1-benzyl-5-nitroindol-3-yl)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 93120158
1-benzyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]indole-3-carboxamide
CID 24625616
1-benzyl-3-[carboxy(morpholin-4-yl)methyl]indole-5-carboxylic acid
CID 45491489
3-(1-benzylindol-3-yl)-N-(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 42774906

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(R)-benzamido(phenyl)methyl]-1-benzylindole-5-carboxylate?
The IUPAC name of methyl 3-[(R)-benzamido(phenyl)methyl]-1-benzylindole-5-carboxylate (CID 102319711) is methyl 3-[(R)-benzamido(phenyl)methyl]-1-benzylindole-5-carboxylate.
What is the SMILES notation for methyl 3-[(R)-benzamido(phenyl)methyl]-1-benzylindole-5-carboxylate?
The canonical SMILES for methyl 3-[(R)-benzamido(phenyl)methyl]-1-benzylindole-5-carboxylate is COC(=O)c1ccc2c(c1)c([C@H](NC(=O)c1ccccc1)c1ccccc1)cn2Cc1ccccc1.
What is the InChIKey of methyl 3-[(R)-benzamido(phenyl)methyl]-1-benzylindole-5-carboxylate?
The InChIKey is HIEGIRFCXFKCHD-GDLZYMKVSA-N. The full InChI is InChI=1S/C31H26N2O3/c1-36-31(35)25-17-18-28-26(19-25)27(21-33(28)20-22-11-5-2-6-12-22)29(23-13-7-3-8-14-23)32-30(34)24-15-9-4-10-16-24/h2-19,21,29H,20H2,1H3,(H,32,34)/t29-/m1/s1.
What are the key properties of methyl 3-[(R)-benzamido(phenyl)methyl]-1-benzylindole-5-carboxylate?
methyl 3-[(R)-benzamido(phenyl)methyl]-1-benzylindole-5-carboxylate has a molecular weight of 474.56 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(R)-benzamido(phenyl)methyl]-1-benzylindole-5-carboxylate is sourced from PubChem (CID 102319711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).