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

C19H19NO3 — CID 8858757

IUPACN-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide
SMILESCCOc1ccc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C19H19NO3/c1-3-23-18-10-7-15(8-11-18)9-12-19(22)16-5-4-6-17(13-16)20-14(2)21/h4-13H,3H2,1-2H3,(H,20,21)/b12-9+
InChIKeyXOZNIUWXOKUQAZ-FMIVXFBMSA-N
MW309.37 g/mol
LogP3.94
Rot. Bonds6

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

N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide (PubChem CID 8858757) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide
PubChem CID8858757
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC NameN-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide
SMILESCCOc1ccc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C19H19NO3/c1-3-23-18-10-7-15(8-11-18)9-12-19(22)16-5-4-6-17(13-16)20-14(2)21/h4-13H,3H2,1-2H3,(H,20,21)/b12-9+
InChIKeyXOZNIUWXOKUQAZ-FMIVXFBMSA-N
XLogP3.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.94
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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Related Compounds

N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
(E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 797467
N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858697
N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide
CID 8858895
(E)-3-(4-ethoxyphenyl)-1-[3-[4-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenoxy]butoxy]phenyl]prop-2-en-1-one
CID 167993814
N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide
CID 93002866
N-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858974
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
N-[3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]phenyl]acetamide
CID 52643191
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
(E)-1-[3-(difluoromethoxy)phenyl]-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 19541061
N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858788

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide?
The IUPAC name of N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide (CID 8858757) is N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide is CCOc1ccc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide?
The InChIKey is XOZNIUWXOKUQAZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-23-18-10-7-15(8-11-18)9-12-19(22)16-5-4-6-17(13-16)20-14(2)21/h4-13H,3H2,1-2H3,(H,20,21)/b12-9+.
What are the key properties of N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide?
N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 8858757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).