(E)-N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[(E)-2-methylbut-2-enyl]iminoethyl]but-2-enamide

C20H26N2O — CID 142913241

IUPAC(E)-N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[(E)-2-methylbut-2-enyl]iminoethyl]but-2-enamide
SMILESC/C=C(\C)C/N=C/C/C(=C\C)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C20H26N2O/c1-4-15(3)14-21-12-11-16(5-2)20(23)22-19-10-9-17-7-6-8-18(17)13-19/h4-5,9-10,12-13H,6-8,11,14H2,1-3H3,(H,22,23)/b15-4+,16-5+,21-12+
InChIKeyYIMFCCLKYHHPPW-NNGSQIDNSA-N
MW310.44 g/mol
LogP4.49
Rot. Bonds6

About (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[(E)-2-methylbut-2-enyl]iminoethyl]but-2-enamide

(E)-N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[(E)-2-methylbut-2-enyl]iminoethyl]but-2-enamide (PubChem CID 142913241) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[(E)-2-methylbut-2-enyl]iminoethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[(E)-2-methylbut-2-enyl]iminoethyl]but-2-enamide
PubChem CID142913241
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(E)-N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[(E)-2-methylbut-2-enyl]iminoethyl]but-2-enamide
SMILESC/C=C(\C)C/N=C/C/C(=C\C)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C20H26N2O/c1-4-15(3)14-21-12-11-16(5-2)20(23)22-19-10-9-17-7-6-8-18(17)13-19/h4-5,9-10,12-13H,6-8,11,14H2,1-3H3,(H,22,23)/b15-4+,16-5+,21-12+
InChIKeyYIMFCCLKYHHPPW-NNGSQIDNSA-N
XLogP4.49
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[(E)-2-methylbut-2-enyl]iminoethyl]but-2-enamide 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-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 43163947
N-(2,3-dihydro-1H-inden-5-yl)-N'-[dimethyl(oxo)-λ6-sulfanylidene]oxamide
CID 166277072
N-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypentanamide
CID 79199175
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888
N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide
CID 60849517
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
CID 115234414
1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 17267646
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487
(3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide
CID 43156060
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea
CID 17282136

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[(E)-2-methylbut-2-enyl]iminoethyl]but-2-enamide?
The IUPAC name of (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[(E)-2-methylbut-2-enyl]iminoethyl]but-2-enamide (CID 142913241) is (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[(E)-2-methylbut-2-enyl]iminoethyl]but-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[(E)-2-methylbut-2-enyl]iminoethyl]but-2-enamide?
The canonical SMILES for (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[(E)-2-methylbut-2-enyl]iminoethyl]but-2-enamide is C/C=C(\C)C/N=C/C/C(=C\C)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[(E)-2-methylbut-2-enyl]iminoethyl]but-2-enamide?
The InChIKey is YIMFCCLKYHHPPW-NNGSQIDNSA-N. The full InChI is InChI=1S/C20H26N2O/c1-4-15(3)14-21-12-11-16(5-2)20(23)22-19-10-9-17-7-6-8-18(17)13-19/h4-5,9-10,12-13H,6-8,11,14H2,1-3H3,(H,22,23)/b15-4+,16-5+,21-12+.
What are the key properties of (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[(E)-2-methylbut-2-enyl]iminoethyl]but-2-enamide?
(E)-N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[(E)-2-methylbut-2-enyl]iminoethyl]but-2-enamide has a molecular weight of 310.44 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dihydro-1H-inden-5-yl)-2-[2-[(E)-2-methylbut-2-enyl]iminoethyl]but-2-enamide is sourced from PubChem (CID 142913241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).