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

C17H15NO3 — CID 8858697

IUPACN-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)/C=C/c2ccc(O)cc2)c1
InChIInChI=1S/C17H15NO3/c1-12(19)18-15-4-2-3-14(11-15)17(21)10-7-13-5-8-16(20)9-6-13/h2-11,20H,1H3,(H,18,19)/b10-7+
InChIKeyJCQOCMUNXZEJCC-JXMROGBWSA-N
MW281.31 g/mol
LogP3.25
Rot. Bonds4

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

N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide (PubChem CID 8858697) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
PubChem CID8858697
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC NameN-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)/C=C/c2ccc(O)cc2)c1
InChIInChI=1S/C17H15NO3/c1-12(19)18-15-4-2-3-14(11-15)17(21)10-7-13-5-8-16(20)9-6-13/h2-11,20H,1H3,(H,18,19)/b10-7+
InChIKeyJCQOCMUNXZEJCC-JXMROGBWSA-N
XLogP3.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
N-[3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]phenyl]acetamide
CID 52643191
N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858788
N-[3-[(E)-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 78787133
N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858757
2-methyl-N-[3-[3-[4-[3-[3-(2-methylprop-2-enoylamino)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]prop-2-enamide
CID 2832522
4-[(E)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]-2-nitrophenolate
CID 8858881
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756
N-[3-[(E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858924
N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide
CID 2832490
N-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858974
N-[4-[(E)-3-[3-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 8827445

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide?
The IUPAC name of N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide (CID 8858697) is N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)/C=C/c2ccc(O)cc2)c1.
What is the InChIKey of N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide?
The InChIKey is JCQOCMUNXZEJCC-JXMROGBWSA-N. The full InChI is InChI=1S/C17H15NO3/c1-12(19)18-15-4-2-3-14(11-15)17(21)10-7-13-5-8-16(20)9-6-13/h2-11,20H,1H3,(H,18,19)/b10-7+.
What are the key properties of N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide?
N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide has a molecular weight of 281.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 8858697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).