N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide

C24H25NO5 — CID 118060843

IUPACN-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide
SMILESCOc1ccc(/C=C/C(=O)c2ccc(OC)c3c2OC(C)(C)C=C3)cc1NC(C)=O
InChIInChI=1S/C24H25NO5/c1-15(26)25-19-14-16(7-10-22(19)29-5)6-9-20(27)17-8-11-21(28-4)18-12-13-24(2,3)30-23(17)18/h6-14H,1-5H3,(H,25,26)/b9-6+
InChIKeyVTESHQJOXOWDKV-RMKNXTFCSA-N
MW407.47 g/mol
LogP4.74
Rot. Bonds6

About N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide

N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide (PubChem CID 118060843) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide
PubChem CID118060843
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC NameN-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide
SMILESCOc1ccc(/C=C/C(=O)c2ccc(OC)c3c2OC(C)(C)C=C3)cc1NC(C)=O
InChIInChI=1S/C24H25NO5/c1-15(26)25-19-14-16(7-10-22(19)29-5)6-9-20(27)17-8-11-21(28-4)18-12-13-24(2,3)30-23(17)18/h6-14H,1-5H3,(H,25,26)/b9-6+
InChIKeyVTESHQJOXOWDKV-RMKNXTFCSA-N
XLogP4.74
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide (CID 118060843) is N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide is COc1ccc(/C=C/C(=O)c2ccc(OC)c3c2OC(C)(C)C=C3)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide?
The InChIKey is VTESHQJOXOWDKV-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H25NO5/c1-15(26)25-19-14-16(7-10-22(19)29-5)6-9-20(27)17-8-11-21(28-4)18-12-13-24(2,3)30-23(17)18/h6-14H,1-5H3,(H,25,26)/b9-6+.
What are the key properties of N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide?
N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide is sourced from PubChem (CID 118060843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).