N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]acetamide

C18H17NO4 — CID 41368027

IUPACN-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]acetamide
SMILESCOc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)ccc1O
InChIInChI=1S/C18H17NO4/c1-12(20)19-15-5-3-4-14(11-15)16(21)8-6-13-7-9-17(22)18(10-13)23-2/h3-11,22H,1-2H3,(H,19,20)/b8-6+
InChIKeyBVTBURKHBAVPMJ-SOFGYWHQSA-N
MW311.34 g/mol
LogP3.26
Rot. Bonds5

About N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]acetamide

N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]acetamide (PubChem CID 41368027) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]acetamide
PubChem CID41368027
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC NameN-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]acetamide
SMILESCOc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)ccc1O
InChIInChI=1S/C18H17NO4/c1-12(20)19-15-5-3-4-14(11-15)16(21)8-6-13-7-9-17(22)18(10-13)23-2/h3-11,22H,1-2H3,(H,19,20)/b8-6+
InChIKeyBVTBURKHBAVPMJ-SOFGYWHQSA-N
XLogP3.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]acetamide?
The IUPAC name of N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]acetamide (CID 41368027) is N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]acetamide is COc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)ccc1O.
What is the InChIKey of N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]acetamide?
The InChIKey is BVTBURKHBAVPMJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H17NO4/c1-12(20)19-15-5-3-4-14(11-15)16(21)8-6-13-7-9-17(22)18(10-13)23-2/h3-11,22H,1-2H3,(H,19,20)/b8-6+.
What are the key properties of N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]acetamide?
N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]acetamide has a molecular weight of 311.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 41368027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).