N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-phenoxyacetamide

C18H18N2O3 — CID 6139879

IUPACN-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-phenoxyacetamide
SMILESCc1cccc2c1OCC/C2=N\NC(=O)COc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-13-6-5-9-15-16(10-11-22-18(13)15)19-20-17(21)12-23-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3,(H,20,21)/b19-16+
InChIKeyASDMANOYDPMRGA-KNTRCKAVSA-N
MW310.35 g/mol
LogP2.68
Rot. Bonds4

About N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-phenoxyacetamide

N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-phenoxyacetamide (PubChem CID 6139879) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-phenoxyacetamide
PubChem CID6139879
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-phenoxyacetamide
SMILESCc1cccc2c1OCC/C2=N\NC(=O)COc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-13-6-5-9-15-16(10-11-22-18(13)15)19-20-17(21)12-23-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3,(H,20,21)/b19-16+
InChIKeyASDMANOYDPMRGA-KNTRCKAVSA-N
XLogP2.68
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-phenoxyacetamide?
The IUPAC name of N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-phenoxyacetamide (CID 6139879) is N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-phenoxyacetamide.
What is the SMILES notation for N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-phenoxyacetamide?
The canonical SMILES for N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-phenoxyacetamide is Cc1cccc2c1OCC/C2=N\NC(=O)COc1ccccc1.
What is the InChIKey of N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-phenoxyacetamide?
The InChIKey is ASDMANOYDPMRGA-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13-6-5-9-15-16(10-11-22-18(13)15)19-20-17(21)12-23-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3,(H,20,21)/b19-16+.
What are the key properties of N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-phenoxyacetamide?
N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-phenoxyacetamide has a molecular weight of 310.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-phenoxyacetamide is sourced from PubChem (CID 6139879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).