(3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one

C23H25N3O3 — CID 95402504

IUPAC(3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one
SMILESCN1C(=O)[C@@](CC(=O)N2CCNC(=O)CC2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C23H25N3O3/c1-25-19-10-6-5-9-18(19)23(22(25)29,15-17-7-3-2-4-8-17)16-21(28)26-13-11-20(27)24-12-14-26/h2-10H,11-16H2,1H3,(H,24,27)/t23-/m1/s1
InChIKeyDRVXSKIVOXGSHR-HSZRJFAPSA-N
MW391.47 g/mol
LogP1.88
Rot. Bonds4

About (3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one

(3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one (PubChem CID 95402504) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one.

Molecular Properties

Compound Name(3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one
PubChem CID95402504
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one
SMILESCN1C(=O)[C@@](CC(=O)N2CCNC(=O)CC2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C23H25N3O3/c1-25-19-10-6-5-9-18(19)23(22(25)29,15-17-7-3-2-4-8-17)16-21(28)26-13-11-20(27)24-12-14-26/h2-10H,11-16H2,1H3,(H,24,27)/t23-/m1/s1
InChIKeyDRVXSKIVOXGSHR-HSZRJFAPSA-N
XLogP1.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-benzyl-1-methyl-3-(2-oxo-2-piperazin-1-ylethyl)indol-2-one;hydrochloride
CID 154892331
3-benzyl-3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 56878785
3-benzyl-3-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]-1-methylindol-2-one
CID 56866029
(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
1-[2-[(3S)-3-benzyl-1-methyl-2-oxoindol-3-yl]acetyl]piperidine-4-carbonitrile
CID 95525386
(3S)-3-benzyl-3-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-1-methylindol-2-one
CID 95557356
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
1-(2-benzylsulfanylacetyl)-1,4-diazepan-5-one
CID 55154739
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-(piperidin-4-ylmethyl)acetamide
CID 95400748
(3R)-3-benzyl-1-methyl-3-[3-(1,4-oxazepan-4-yl)-3-oxopropyl]indol-2-one
CID 95528086
2-[(3R)-3-benzyl-1-methyl-2-oxoindol-3-yl]-N-ethyl-N-methylacetamide
CID 95550196

Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one?
The IUPAC name of (3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one (CID 95402504) is (3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one.
What is the SMILES notation for (3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one?
The canonical SMILES for (3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one is CN1C(=O)[C@@](CC(=O)N2CCNC(=O)CC2)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of (3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one?
The InChIKey is DRVXSKIVOXGSHR-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-25-19-10-6-5-9-18(19)23(22(25)29,15-17-7-3-2-4-8-17)16-21(28)26-13-11-20(27)24-12-14-26/h2-10H,11-16H2,1H3,(H,24,27)/t23-/m1/s1.
What are the key properties of (3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one?
(3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one has a molecular weight of 391.47 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-1-methyl-3-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]indol-2-one is sourced from PubChem (CID 95402504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).