N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(2-methoxyphenyl)acetamide

C18H18N2O3 — CID 97000869

IUPACN-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)N/N=C1\CCc2c(O)cccc21
InChIInChI=1S/C18H18N2O3/c1-23-17-8-3-2-5-12(17)11-18(22)20-19-15-10-9-14-13(15)6-4-7-16(14)21/h2-8,21H,9-11H2,1H3,(H,20,22)/b19-15+
InChIKeyUHOFCIAFIQCKQH-XDJHFCHBSA-N
MW310.35 g/mol
LogP2.41
Rot. Bonds4

About N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(2-methoxyphenyl)acetamide

N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(2-methoxyphenyl)acetamide (PubChem CID 97000869) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(2-methoxyphenyl)acetamide
PubChem CID97000869
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)N/N=C1\CCc2c(O)cccc21
InChIInChI=1S/C18H18N2O3/c1-23-17-8-3-2-5-12(17)11-18(22)20-19-15-10-9-14-13(15)6-4-7-16(14)21/h2-8,21H,9-11H2,1H3,(H,20,22)/b19-15+
InChIKeyUHOFCIAFIQCKQH-XDJHFCHBSA-N
XLogP2.41
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-2-naphthalen-1-ylacetamide
CID 5091527
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(2-methoxyanilino)acetamide
CID 6071350
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
2-(2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846272
3-[(2E)-2-(4-hydroxy-2,3-dihydroinden-1-ylidene)hydrazinyl]benzoic acid
CID 45327334
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide
CID 9466659
N-(3-hydroxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 43082666
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 5236846
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(2-methoxyphenyl)acetamide (CID 97000869) is N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)N/N=C1\CCc2c(O)cccc21.
What is the InChIKey of N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(2-methoxyphenyl)acetamide?
The InChIKey is UHOFCIAFIQCKQH-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-23-17-8-3-2-5-12(17)11-18(22)20-19-15-10-9-14-13(15)6-4-7-16(14)21/h2-8,21H,9-11H2,1H3,(H,20,22)/b19-15+.
What are the key properties of N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(2-methoxyphenyl)acetamide?
N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(2-methoxyphenyl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 97000869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).