N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide

C20H21N3O2 — CID 6124304

IUPACN-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide
SMILESCCOc1ccccc1/C=N\NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-2-25-19-10-6-3-7-16(19)14-22-23-20(24)12-11-15-13-21-18-9-5-4-8-17(15)18/h3-10,13-14,21H,2,11-12H2,1H3,(H,23,24)/b22-14-
InChIKeyCXRREYSUPWQBKI-HMAPJEAMSA-N
MW335.41 g/mol
LogP3.65
Rot. Bonds7

About N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide

N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide (PubChem CID 6124304) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide
PubChem CID6124304
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide
SMILESCCOc1ccccc1/C=N\NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-2-25-19-10-6-3-7-16(19)14-22-23-20(24)12-11-15-13-21-18-9-5-4-8-17(15)18/h3-10,13-14,21H,2,11-12H2,1H3,(H,23,24)/b22-14-
InChIKeyCXRREYSUPWQBKI-HMAPJEAMSA-N
XLogP3.65
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide
CID 74816610
N-[(Z)-(2-ethoxyphenyl)methylideneamino]pentanamide
CID 5381098
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5416826
N-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide
CID 6049004
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968708
N-(1H-indol-3-ylmethylideneamino)hexadecanamide
CID 136905846
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833649
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 55659713
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
N-[(E)-(4-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126252327
N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515359

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide (CID 6124304) is N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide is CCOc1ccccc1/C=N\NC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide?
The InChIKey is CXRREYSUPWQBKI-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-25-19-10-6-3-7-16(19)14-22-23-20(24)12-11-15-13-21-18-9-5-4-8-17(15)18/h3-10,13-14,21H,2,11-12H2,1H3,(H,23,24)/b22-14-.
What are the key properties of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide?
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 6124304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).