(2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide

C20H18N4O — CID 137021976

IUPAC(2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide
SMILESCCc1cccc2c(/C=N\NC(=O)[C@@H](C#N)c3ccccc3)c[nH]c12
InChIInChI=1S/C20H18N4O/c1-2-14-9-6-10-17-16(12-22-19(14)17)13-23-24-20(25)18(11-21)15-7-4-3-5-8-15/h3-10,12-13,18,22H,2H2,1H3,(H,24,25)/b23-13-/t18-/m0/s1
InChIKeyBXCFEBVOQZEFBC-QRAWFLTRSA-N
MW330.39 g/mol
LogP3.49
Rot. Bonds5

About (2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide

(2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide (PubChem CID 137021976) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is (2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide
PubChem CID137021976
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name(2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide
SMILESCCc1cccc2c(/C=N\NC(=O)[C@@H](C#N)c3ccccc3)c[nH]c12
InChIInChI=1S/C20H18N4O/c1-2-14-9-6-10-17-16(12-22-19(14)17)13-23-24-20(25)18(11-21)15-7-4-3-5-8-15/h3-10,12-13,18,22H,2H2,1H3,(H,24,25)/b23-13-/t18-/m0/s1
InChIKeyBXCFEBVOQZEFBC-QRAWFLTRSA-N
XLogP3.49
TPSA81.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.49
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-[(7-ethyl-1H-indol-3-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3987946
2-(4-cyanophenoxy)-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135702182
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 135557951
N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135785166
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2710539
4-bromo-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135846604
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135702130
(2R)-2-cyano-N-[(Z)-[4-(2-methylpropoxy)naphthalen-1-yl]methylideneamino]-2-phenylacetamide
CID 126200717
4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135702030
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4283483
2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide
CID 78608845
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide
CID 135679847

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide?
The IUPAC name of (2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide (CID 137021976) is (2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide is CCc1cccc2c(/C=N\NC(=O)[C@@H](C#N)c3ccccc3)c[nH]c12.
What is the InChIKey of (2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide?
The InChIKey is BXCFEBVOQZEFBC-QRAWFLTRSA-N. The full InChI is InChI=1S/C20H18N4O/c1-2-14-9-6-10-17-16(12-22-19(14)17)13-23-24-20(25)18(11-21)15-7-4-3-5-8-15/h3-10,12-13,18,22H,2H2,1H3,(H,24,25)/b23-13-/t18-/m0/s1.
What are the key properties of (2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide?
(2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide has a molecular weight of 330.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 137021976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).