N-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide

C18H15NO3 — CID 17391461

IUPACN-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2\COc3ccccc3C2=O)cc1
InChIInChI=1S/C18H15NO3/c1-12(20)19-15-8-6-13(7-9-15)10-14-11-22-17-5-3-2-4-16(17)18(14)21/h2-10H,11H2,1H3,(H,19,20)/b14-10+
InChIKeyYIOFKDNRFXPGIZ-GXDHUFHOSA-N
MW293.32 g/mol
LogP3.30
Rot. Bonds2

About N-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide

N-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide (PubChem CID 17391461) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide
PubChem CID17391461
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2\COc3ccccc3C2=O)cc1
InChIInChI=1S/C18H15NO3/c1-12(20)19-15-8-6-13(7-9-15)10-14-11-22-17-5-3-2-4-16(17)18(14)21/h2-10H,11H2,1H3,(H,19,20)/b14-10+
InChIKeyYIOFKDNRFXPGIZ-GXDHUFHOSA-N
XLogP3.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide (CID 17391461) is N-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C2\COc3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide?
The InChIKey is YIOFKDNRFXPGIZ-GXDHUFHOSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12(20)19-15-8-6-13(7-9-15)10-14-11-22-17-5-3-2-4-16(17)18(14)21/h2-10H,11H2,1H3,(H,19,20)/b14-10+.
What are the key properties of N-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide?
N-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide has a molecular weight of 293.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide is sourced from PubChem (CID 17391461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).