3-[(3Z)-3-(dimethylaminomethylidene)-2-oxoindol-1-yl]-N,N-dimethylbenzamide

C20H21N3O2 — CID 13339493

IUPAC3-[(3Z)-3-(dimethylaminomethylidene)-2-oxoindol-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)/C=C1\C(=O)N(c2cccc(C(=O)N(C)C)c2)c2ccccc21
InChIInChI=1S/C20H21N3O2/c1-21(2)13-17-16-10-5-6-11-18(16)23(20(17)25)15-9-7-8-14(12-15)19(24)22(3)4/h5-13H,1-4H3/b17-13-
InChIKeyPERGPWLPUDHGRA-LGMDPLHJSA-N
MW335.41 g/mol
LogP2.97
Rot. Bonds3

About 3-[(3Z)-3-(dimethylaminomethylidene)-2-oxoindol-1-yl]-N,N-dimethylbenzamide

3-[(3Z)-3-(dimethylaminomethylidene)-2-oxoindol-1-yl]-N,N-dimethylbenzamide (PubChem CID 13339493) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[(3Z)-3-(dimethylaminomethylidene)-2-oxoindol-1-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(3Z)-3-(dimethylaminomethylidene)-2-oxoindol-1-yl]-N,N-dimethylbenzamide
PubChem CID13339493
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-[(3Z)-3-(dimethylaminomethylidene)-2-oxoindol-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)/C=C1\C(=O)N(c2cccc(C(=O)N(C)C)c2)c2ccccc21
InChIInChI=1S/C20H21N3O2/c1-21(2)13-17-16-10-5-6-11-18(16)23(20(17)25)15-9-7-8-14(12-15)19(24)22(3)4/h5-13H,1-4H3/b17-13-
InChIKeyPERGPWLPUDHGRA-LGMDPLHJSA-N
XLogP2.97
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3Z)-3-(dimethylaminomethylidene)-2-oxoindol-1-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(3Z)-3-(dimethylaminomethylidene)-2-oxoindol-1-yl]-N,N-dimethylbenzamide (CID 13339493) is 3-[(3Z)-3-(dimethylaminomethylidene)-2-oxoindol-1-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(3Z)-3-(dimethylaminomethylidene)-2-oxoindol-1-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(3Z)-3-(dimethylaminomethylidene)-2-oxoindol-1-yl]-N,N-dimethylbenzamide is CN(C)/C=C1\C(=O)N(c2cccc(C(=O)N(C)C)c2)c2ccccc21.
What is the InChIKey of 3-[(3Z)-3-(dimethylaminomethylidene)-2-oxoindol-1-yl]-N,N-dimethylbenzamide?
The InChIKey is PERGPWLPUDHGRA-LGMDPLHJSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-21(2)13-17-16-10-5-6-11-18(16)23(20(17)25)15-9-7-8-14(12-15)19(24)22(3)4/h5-13H,1-4H3/b17-13-.
What are the key properties of 3-[(3Z)-3-(dimethylaminomethylidene)-2-oxoindol-1-yl]-N,N-dimethylbenzamide?
3-[(3Z)-3-(dimethylaminomethylidene)-2-oxoindol-1-yl]-N,N-dimethylbenzamide has a molecular weight of 335.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z)-3-(dimethylaminomethylidene)-2-oxoindol-1-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 13339493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).