2-[3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenoxy]acetamide

C23H19NO3 — CID 52920903

IUPAC2-[3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H19NO3/c24-23(26)16-27-21-8-4-7-20(15-21)22(25)14-11-17-9-12-19(13-10-17)18-5-2-1-3-6-18/h1-15H,16H2,(H2,24,26)/b14-11+
InChIKeyAILRPDNLNQTNDU-SDNWHVSQSA-N
MW357.41 g/mol
LogP4.11
Rot. Bonds7

About 2-[3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenoxy]acetamide

2-[3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenoxy]acetamide (PubChem CID 52920903) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenoxy]acetamide
PubChem CID52920903
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name2-[3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H19NO3/c24-23(26)16-27-21-8-4-7-20(15-21)22(25)14-11-17-9-12-19(13-10-17)18-5-2-1-3-6-18/h1-15H,16H2,(H2,24,26)/b14-11+
InChIKeyAILRPDNLNQTNDU-SDNWHVSQSA-N
XLogP4.11
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.11
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,N-dimethyl-2-[3-[3-(4-methylphenyl)prop-2-enoyl]phenoxy]acetamide
CID 78905765
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 67385176
2-[3-[3-(4-ethoxyphenyl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 78905786
2-[3-[3-(4-tert-butylphenyl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 75918815
2-[3-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 9448840
2-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52921216
(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
2-[3-[(E)-3-[4-(diethylamino)phenyl]prop-2-enoyl]phenoxy]acetate
CID 8727469
(E)-1-[3-(difluoromethoxy)phenyl]-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]prop-2-en-1-one
CID 19542725
[3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6124036

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenoxy]acetamide (CID 52920903) is 2-[3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenoxy]acetamide is NC(=O)COc1cccc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 2-[3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenoxy]acetamide?
The InChIKey is AILRPDNLNQTNDU-SDNWHVSQSA-N. The full InChI is InChI=1S/C23H19NO3/c24-23(26)16-27-21-8-4-7-20(15-21)22(25)14-11-17-9-12-19(13-10-17)18-5-2-1-3-6-18/h1-15H,16H2,(H2,24,26)/b14-11+.
What are the key properties of 2-[3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenoxy]acetamide?
2-[3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenoxy]acetamide has a molecular weight of 357.41 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 2-[3-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenoxy]acetamide is sourced from PubChem (CID 52920903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).