(2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide

C22H26N4O2 — CID 39819226

IUPAC(2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide
SMILESCCn1c(C)c(/C=N/NC(=O)[C@H](C)Nc2ccccc2OC)c2ccccc21
InChIInChI=1S/C22H26N4O2/c1-5-26-16(3)18(17-10-6-8-12-20(17)26)14-23-25-22(27)15(2)24-19-11-7-9-13-21(19)28-4/h6-15,24H,5H2,1-4H3,(H,25,27)/b23-14+/t15-/m0/s1
InChIKeyCFSSGTNGGBJOQX-FVQJWRHTSA-N
MW378.48 g/mol
LogP3.93
Rot. Bonds7

About (2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide

(2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide (PubChem CID 39819226) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide
PubChem CID39819226
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide
SMILESCCn1c(C)c(/C=N/NC(=O)[C@H](C)Nc2ccccc2OC)c2ccccc21
InChIInChI=1S/C22H26N4O2/c1-5-26-16(3)18(17-10-6-8-12-20(17)26)14-23-25-22(27)15(2)24-19-11-7-9-13-21(19)28-4/h6-15,24H,5H2,1-4H3,(H,25,27)/b23-14+/t15-/m0/s1
InChIKeyCFSSGTNGGBJOQX-FVQJWRHTSA-N
XLogP3.93
TPSA67.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 135683629
(2S)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 136790489
2-(2-methoxyanilino)-N-[(2-methoxyphenyl)methylideneamino]propanamide
CID 5212708
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 71947279
methyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate
CID 3695535
2-(2-methoxyanilino)-N-(thiophen-2-ylmethylideneamino)propanamide
CID 5003080
N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 126259376
[(1-ethyl-2-methylindol-3-yl)methylideneamino]thiourea
CID 3642739
2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 17245319
2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 110512126
2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 71960236
(2S)-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 136851890

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide?
The IUPAC name of (2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide (CID 39819226) is (2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide.
What is the SMILES notation for (2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide?
The canonical SMILES for (2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide is CCn1c(C)c(/C=N/NC(=O)[C@H](C)Nc2ccccc2OC)c2ccccc21.
What is the InChIKey of (2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide?
The InChIKey is CFSSGTNGGBJOQX-FVQJWRHTSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-5-26-16(3)18(17-10-6-8-12-20(17)26)14-23-25-22(27)15(2)24-19-11-7-9-13-21(19)28-4/h6-15,24H,5H2,1-4H3,(H,25,27)/b23-14+/t15-/m0/s1.
What are the key properties of (2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide?
(2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide has a molecular weight of 378.48 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide is sourced from PubChem (CID 39819226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).