3-(dimethylamino)-N-[(E)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide

C24H27N5O3 — CID 21216082

IUPAC3-(dimethylamino)-N-[(E)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
SMILESCN(C)c1cccc(C(=O)N/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1
InChIInChI=1S/C24H27N5O3/c1-27(2)20-7-5-6-18(14-20)24(31)26-25-15-19-16-29(22-9-4-3-8-21(19)22)17-23(30)28-10-12-32-13-11-28/h3-9,14-16H,10-13,17H2,1-2H3,(H,26,31)/b25-15+
InChIKeyMSWHLGHKIHSWFC-MFKUBSTISA-N
MW433.51 g/mol
LogP2.33
Rot. Bonds6

About 3-(dimethylamino)-N-[(E)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide

3-(dimethylamino)-N-[(E)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide (PubChem CID 21216082) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(E)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(E)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
PubChem CID21216082
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name3-(dimethylamino)-N-[(E)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
SMILESCN(C)c1cccc(C(=O)N/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1
InChIInChI=1S/C24H27N5O3/c1-27(2)20-7-5-6-18(14-20)24(31)26-25-15-19-16-29(22-9-4-3-8-21(19)22)17-23(30)28-10-12-32-13-11-28/h3-9,14-16H,10-13,17H2,1-2H3,(H,26,31)/b25-15+
InChIKeyMSWHLGHKIHSWFC-MFKUBSTISA-N
XLogP2.33
TPSA79.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(hydroxyiminomethyl)indol-1-yl]-1-morpholin-4-ylethanone
CID 662696
3,4-dichloro-N-[3-methyl-1-[(2Z)-2-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 6069816
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide
CID 5035642
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 3879829
3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide
CID 137065890
3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide
CID 967738
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide
CID 3999829
3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 126274795
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide
CID 135982630
1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone
CID 91897411
N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]naphthalene-2-carboxamide
CID 3429535
5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 3788100

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(E)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(E)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide (CID 21216082) is 3-(dimethylamino)-N-[(E)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(E)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(E)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide is CN(C)c1cccc(C(=O)N/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(E)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide?
The InChIKey is MSWHLGHKIHSWFC-MFKUBSTISA-N. The full InChI is InChI=1S/C24H27N5O3/c1-27(2)20-7-5-6-18(14-20)24(31)26-25-15-19-16-29(22-9-4-3-8-21(19)22)17-23(30)28-10-12-32-13-11-28/h3-9,14-16H,10-13,17H2,1-2H3,(H,26,31)/b25-15+.
What are the key properties of 3-(dimethylamino)-N-[(E)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide?
3-(dimethylamino)-N-[(E)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide has a molecular weight of 433.51 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(E)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide is sourced from PubChem (CID 21216082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).