(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one

C23H22N2O2 — CID 8755570

IUPAC(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)[C@@H](C)N[C@H](c1ccccc1)c1ccco1
InChIInChI=1S/C23H22N2O2/c1-15-21(18-11-6-7-12-19(18)24-15)23(26)16(2)25-22(20-13-8-14-27-20)17-9-4-3-5-10-17/h3-14,16,22,24-25H,1-2H3/t16-,22-/m1/s1
InChIKeyBAZXYIVFPXBPMA-OPAMFIHVSA-N
MW358.44 g/mol
LogP5.02
Rot. Bonds6

About (2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one

(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one (PubChem CID 8755570) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
PubChem CID8755570
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)[C@@H](C)N[C@H](c1ccccc1)c1ccco1
InChIInChI=1S/C23H22N2O2/c1-15-21(18-11-6-7-12-19(18)24-15)23(26)16(2)25-22(20-13-8-14-27-20)17-9-4-3-5-10-17/h3-14,16,22,24-25H,1-2H3/t16-,22-/m1/s1
InChIKeyBAZXYIVFPXBPMA-OPAMFIHVSA-N
XLogP5.02
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one with MolForge

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Related Compounds

[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate
CID 16540533
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821861
4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 134029345
(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7880037
1-phenylethyl 2-methyl-1H-indole-3-carboxylate
CID 142169853
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629529
N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide
CID 110001950
(2R)-N-(4-chlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755484
(2S)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755478
(2R)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755480

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one?
The IUPAC name of (2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one (CID 8755570) is (2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for (2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one?
The canonical SMILES for (2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one is Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N[C@H](c1ccccc1)c1ccco1.
What is the InChIKey of (2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one?
The InChIKey is BAZXYIVFPXBPMA-OPAMFIHVSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-15-21(18-11-6-7-12-19(18)24-15)23(26)16(2)25-22(20-13-8-14-27-20)17-9-4-3-5-10-17/h3-14,16,22,24-25H,1-2H3/t16-,22-/m1/s1.
What are the key properties of (2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one?
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one has a molecular weight of 358.44 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 8755570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).