(3S)-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3H-indol-2-one

C23H27NO3 — CID 95059760

IUPAC(3S)-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)[C@@H](Cc2cccc(OC)c2OC2CCCC2)c2ccccc21
InChIInChI=1S/C23H27NO3/c1-3-24-20-13-7-6-12-18(20)19(23(24)25)15-16-9-8-14-21(26-2)22(16)27-17-10-4-5-11-17/h6-9,12-14,17,19H,3-5,10-11,15H2,1-2H3/t19-/m0/s1
InChIKeyBVVCEOBVAVGEMS-IBGZPJMESA-N
MW365.47 g/mol
LogP4.71
Rot. Bonds6

About (3S)-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3H-indol-2-one

(3S)-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3H-indol-2-one (PubChem CID 95059760) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is (3S)-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
PubChem CID95059760
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name(3S)-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)[C@@H](Cc2cccc(OC)c2OC2CCCC2)c2ccccc21
InChIInChI=1S/C23H27NO3/c1-3-24-20-13-7-6-12-18(20)19(23(24)25)15-16-9-8-14-21(26-2)22(16)27-17-10-4-5-11-17/h6-9,12-14,17,19H,3-5,10-11,15H2,1-2H3/t19-/m0/s1
InChIKeyBVVCEOBVAVGEMS-IBGZPJMESA-N
XLogP4.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-ethyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 26367748
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
(3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
CID 26367875
(3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 51539737
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
(3R)-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one
CID 26367911
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
[2-(chloromethyl)-6-methoxyphenoxy]cycloheptane
CID 82927927
O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine
CID 117347185
2-cyclobutyloxy-1-(isocyanatomethyl)-3-methoxybenzene
CID 117338039
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410
1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 43912762

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3H-indol-2-one?
The IUPAC name of (3S)-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3H-indol-2-one (CID 95059760) is (3S)-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3H-indol-2-one.
What is the SMILES notation for (3S)-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3H-indol-2-one?
The canonical SMILES for (3S)-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3H-indol-2-one is CCN1C(=O)[C@@H](Cc2cccc(OC)c2OC2CCCC2)c2ccccc21.
What is the InChIKey of (3S)-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3H-indol-2-one?
The InChIKey is BVVCEOBVAVGEMS-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27NO3/c1-3-24-20-13-7-6-12-18(20)19(23(24)25)15-16-9-8-14-21(26-2)22(16)27-17-10-4-5-11-17/h6-9,12-14,17,19H,3-5,10-11,15H2,1-2H3/t19-/m0/s1.
What are the key properties of (3S)-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3H-indol-2-one?
(3S)-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3H-indol-2-one has a molecular weight of 365.47 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-ethyl-3H-indol-2-one is sourced from PubChem (CID 95059760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).