4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide

C22H21N3O3 — CID 110427774

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide
SMILESCc1cc2cc(CNC(=O)CCCN3C(=O)c4ccccc4C3=O)ccc2[nH]1
InChIInChI=1S/C22H21N3O3/c1-14-11-16-12-15(8-9-19(16)24-14)13-23-20(26)7-4-10-25-21(27)17-5-2-3-6-18(17)22(25)28/h2-3,5-6,8-9,11-12,24H,4,7,10,13H2,1H3,(H,23,26)
InChIKeyPCSNCIAVIYLBNG-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.17
Rot. Bonds6

About 4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide (PubChem CID 110427774) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide
PubChem CID110427774
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide
SMILESCc1cc2cc(CNC(=O)CCCN3C(=O)c4ccccc4C3=O)ccc2[nH]1
InChIInChI=1S/C22H21N3O3/c1-14-11-16-12-15(8-9-19(16)24-14)13-23-20(26)7-4-10-25-21(27)17-5-2-3-6-18(17)22(25)28/h2-3,5-6,8-9,11-12,24H,4,7,10,13H2,1H3,(H,23,26)
InChIKeyPCSNCIAVIYLBNG-UHFFFAOYSA-N
XLogP3.17
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,5-dimethyl-1H-pyrrol-3-yl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110641563
N-[(3-acetamidophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 46477960
3-(1,3-dioxoisoindol-2-yl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324668
4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 51192224
N-[(2-methyl-1H-indol-5-yl)methyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110613579
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
4-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108538869
(E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide
CID 110425618
methyl 4-[[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]methyl]benzoate
CID 4810758
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2707328
4-(1,3-dioxoisoindol-2-yl)-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]butanamide
CID 110370396

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide (CID 110427774) is 4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide is Cc1cc2cc(CNC(=O)CCCN3C(=O)c4ccccc4C3=O)ccc2[nH]1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide?
The InChIKey is PCSNCIAVIYLBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-11-16-12-15(8-9-19(16)24-14)13-23-20(26)7-4-10-25-21(27)17-5-2-3-6-18(17)22(25)28/h2-3,5-6,8-9,11-12,24H,4,7,10,13H2,1H3,(H,23,26).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide has a molecular weight of 375.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1H-indol-5-yl)methyl]butanamide is sourced from PubChem (CID 110427774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).