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

C19H20N2O3 — CID 90481723

IUPACN-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)N/N=C2\CCOc3c(C)cccc32)c1
InChIInChI=1S/C19H20N2O3/c1-13-5-3-7-15(11-13)24-12-18(22)21-20-17-9-10-23-19-14(2)6-4-8-16(17)19/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)/b20-17+
InChIKeyHMLRDHNVXZYSNG-LVZFUZTISA-N
MW324.38 g/mol
LogP2.99
Rot. Bonds4

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

N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide (PubChem CID 90481723) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide
PubChem CID90481723
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)N/N=C2\CCOc3c(C)cccc32)c1
InChIInChI=1S/C19H20N2O3/c1-13-5-3-7-15(11-13)24-12-18(22)21-20-17-9-10-23-19-14(2)6-4-8-16(17)19/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)/b20-17+
InChIKeyHMLRDHNVXZYSNG-LVZFUZTISA-N
XLogP2.99
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.99
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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Related Compounds

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(3-methylphenoxy)acetamide
CID 968541
N-[(4-tert-butylcyclohexylidene)amino]-2-(3-methylphenoxy)acetamide
CID 4547422
2-(3-methylphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
CID 6910967
N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide
CID 117071561
2-(3-methylphenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 742972
2-(3-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 742967
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 968480
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910954
2-(3-methylphenoxy)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 9371026
2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 6908162
2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide
CID 6528002

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide (CID 90481723) is N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)N/N=C2\CCOc3c(C)cccc32)c1.
What is the InChIKey of N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide?
The InChIKey is HMLRDHNVXZYSNG-LVZFUZTISA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-5-3-7-15(11-13)24-12-18(22)21-20-17-9-10-23-19-14(2)6-4-8-16(17)19/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)/b20-17+.
What are the key properties of N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide?
N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.99, 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-(3-methylphenoxy)acetamide is sourced from PubChem (CID 90481723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).