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

C24H26N2O5 — CID 118060799

IUPAC2-amino-N-[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(=O)CN
InChIInChI=1S/C24H26N2O5/c1-24(2)12-11-17-20(29-3)10-7-16(23(17)31-24)19(27)8-5-15-6-9-21(30-4)18(13-15)26-22(28)14-25/h5-13H,14,25H2,1-4H3,(H,26,28)/b8-5+
InChIKeyXDYKTPMYZFREEA-VMPITWQZSA-N
MW422.48 g/mol
LogP3.68
Rot. Bonds7

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

2-amino-N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide (PubChem CID 118060799) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 2-amino-N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide
PubChem CID118060799
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name2-amino-N-[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(=O)CN
InChIInChI=1S/C24H26N2O5/c1-24(2)12-11-17-20(29-3)10-7-16(23(17)31-24)19(27)8-5-15-6-9-21(30-4)18(13-15)26-22(28)14-25/h5-13H,14,25H2,1-4H3,(H,26,28)/b8-5+
InChIKeyXDYKTPMYZFREEA-VMPITWQZSA-N
XLogP3.68
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-amino-N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide?
The IUPAC name of 2-amino-N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide (CID 118060799) is 2-amino-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 2-amino-N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide?
The canonical SMILES for 2-amino-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(=O)CN.
What is the InChIKey of 2-amino-N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide?
The InChIKey is XDYKTPMYZFREEA-VMPITWQZSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-24(2)12-11-17-20(29-3)10-7-16(23(17)31-24)19(27)8-5-15-6-9-21(30-4)18(13-15)26-22(28)14-25/h5-13H,14,25H2,1-4H3,(H,26,28)/b8-5+.
What are the key properties of 2-amino-N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide?
2-amino-N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide has a molecular weight of 422.48 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-methoxy-5-[(E)-3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxoprop-1-enyl]phenyl]acetamide is sourced from PubChem (CID 118060799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).