(3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one

C28H31N3O — CID 97356417

IUPAC(3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one
SMILESCN(Cc1ccccc1)N1C(=O)[C@](CCN2CCCC2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C28H31N3O/c1-29(22-23-12-4-2-5-13-23)31-26-17-9-8-16-25(26)28(27(31)32,24-14-6-3-7-15-24)18-21-30-19-10-11-20-30/h2-9,12-17H,10-11,18-22H2,1H3/t28-/m1/s1
InChIKeyUMIRICKXLRUXRF-MUUNZHRXSA-N
MW425.58 g/mol
LogP4.85
Rot. Bonds7

About (3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one

(3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one (PubChem CID 97356417) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is (3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one
PubChem CID97356417
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC Name(3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one
SMILESCN(Cc1ccccc1)N1C(=O)[C@](CCN2CCCC2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C28H31N3O/c1-29(22-23-12-4-2-5-13-23)31-26-17-9-8-16-25(26)28(27(31)32,24-14-6-3-7-15-24)18-21-30-19-10-11-20-30/h2-9,12-17H,10-11,18-22H2,1H3/t28-/m1/s1
InChIKeyUMIRICKXLRUXRF-MUUNZHRXSA-N
XLogP4.85
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one
CID 97356398
(3R)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one
CID 97356397
3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one
CID 28933
1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride
CID 139786250
(3S)-3-[2-(diethylamino)ethyl]-1-[methyl-[(2-propylsulfanylphenyl)methyl]amino]-3-phenylindol-2-one
CID 95559582
3-[2-(diethylamino)ethyl]-1-[methyl-[(2-propylsulfanylphenyl)methyl]amino]-3-phenylindol-2-one
CID 117065891
5-phenyl-5-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3035309
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one
CID 15284413
4-[4-[2-(1-ethyl-2-oxo-3-phenylindol-3-yl)ethyl]piperazin-1-yl]benzonitrile
CID 57040062
2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione
CID 57118627
(3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
CID 3063422

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one?
The IUPAC name of (3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one (CID 97356417) is (3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one.
What is the SMILES notation for (3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one?
The canonical SMILES for (3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one is CN(Cc1ccccc1)N1C(=O)[C@](CCN2CCCC2)(c2ccccc2)c2ccccc21.
What is the InChIKey of (3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one?
The InChIKey is UMIRICKXLRUXRF-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H31N3O/c1-29(22-23-12-4-2-5-13-23)31-26-17-9-8-16-25(26)28(27(31)32,24-14-6-3-7-15-24)18-21-30-19-10-11-20-30/h2-9,12-17H,10-11,18-22H2,1H3/t28-/m1/s1.
What are the key properties of (3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one?
(3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one has a molecular weight of 425.58 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one is sourced from PubChem (CID 97356417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).