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

C20H19NO3 — CID 8858974

IUPACN-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide
SMILESC=CCOc1cccc(/C=C/C(=O)c2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C20H19NO3/c1-3-12-24-19-9-4-6-16(13-19)10-11-20(23)17-7-5-8-18(14-17)21-15(2)22/h3-11,13-14H,1,12H2,2H3,(H,21,22)/b11-10+
InChIKeyHSVIGMMVHHPCFX-ZHACJKMWSA-N
MW321.38 g/mol
LogP4.11
Rot. Bonds7

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

N-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide (PubChem CID 8858974) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide
PubChem CID8858974
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC NameN-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide
SMILESC=CCOc1cccc(/C=C/C(=O)c2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C20H19NO3/c1-3-12-24-19-9-4-6-16(13-19)10-11-20(23)17-7-5-8-18(14-17)21-15(2)22/h3-11,13-14H,1,12H2,2H3,(H,21,22)/b11-10+
InChIKeyHSVIGMMVHHPCFX-ZHACJKMWSA-N
XLogP4.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858757
N-[3-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858788
3-(3-prop-2-enoxyphenyl)prop-2-enoic acid
CID 74580611
N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858697
1-(3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 75849823
N-[3-[(E)-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 78787133
N-[3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]phenyl]acetamide
CID 52643191
N-[3-[(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]phenyl]acetamide
CID 8858895
3-(3-ethoxyphenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 75890323
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
N-[3-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenyl]acetamide
CID 14763363

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide?
The IUPAC name of N-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide (CID 8858974) is N-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide is C=CCOc1cccc(/C=C/C(=O)c2cccc(NC(C)=O)c2)c1.
What is the InChIKey of N-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide?
The InChIKey is HSVIGMMVHHPCFX-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-12-24-19-9-4-6-16(13-19)10-11-20(23)17-7-5-8-18(14-17)21-15(2)22/h3-11,13-14H,1,12H2,2H3,(H,21,22)/b11-10+.
What are the key properties of N-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide?
N-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 8858974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).