(3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one

C24H28N2O3 — CID 95528086

IUPAC(3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one
SMILESCN1C(=O)[C@](CCC(=O)N2CCCOCC2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H28N2O3/c1-25-21-11-6-5-10-20(21)24(23(25)28,18-19-8-3-2-4-9-19)13-12-22(27)26-14-7-16-29-17-15-26/h2-6,8-11H,7,12-18H2,1H3/t24-/m1/s1
InChIKeyQVHZSNKFZKFIDP-XMMPIXPASA-N
MW392.50 g/mol
LogP3.17
Rot. Bonds5

About (3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one

(3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one (PubChem CID 95528086) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is (3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one.

Molecular Properties

Compound Name(3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one
PubChem CID95528086
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name(3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one
SMILESCN1C(=O)[C@](CCC(=O)N2CCCOCC2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H28N2O3/c1-25-21-11-6-5-10-20(21)24(23(25)28,18-19-8-3-2-4-9-19)13-12-22(27)26-14-7-16-29-17-15-26/h2-6,8-11H,7,12-18H2,1H3/t24-/m1/s1
InChIKeyQVHZSNKFZKFIDP-XMMPIXPASA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-benzyl-3-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-1-methylindol-2-one
CID 95557356
3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 56878785
3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N,N-dimethylpropanamide
CID 95554037
3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride
CID 154892331
3-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-(1-ethylcyclopropyl)propanamide
CID 56878244
2-[3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]propanoylamino]acetic acid
CID 95563683
3-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(2-hydroxyethyl)propanamide
CID 95563592
3-benzyl-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 56866029
3-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 95558736
(3R)-3-benzyl-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 95445255
(3R)-3-benzyl-1-methyl-3-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]indol-2-one
CID 95502874
methyl 2-[3-(3-benzyl-1-methyl-2-oxoindol-3-yl)propanoylamino]acetate
CID 56871088

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one?
The IUPAC name of (3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one (CID 95528086) is (3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one.
What is the SMILES notation for (3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one?
The canonical SMILES for (3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one is CN1C(=O)[C@](CCC(=O)N2CCCOCC2)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of (3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one?
The InChIKey is QVHZSNKFZKFIDP-XMMPIXPASA-N. The full InChI is InChI=1S/C24H28N2O3/c1-25-21-11-6-5-10-20(21)24(23(25)28,18-19-8-3-2-4-9-19)13-12-22(27)26-14-7-16-29-17-15-26/h2-6,8-11H,7,12-18H2,1H3/t24-/m1/s1.
What are the key properties of (3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one?
(3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one has a molecular weight of 392.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one is sourced from PubChem (CID 95528086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).