3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide

C23H20N2O3 — CID 109051017

IUPAC3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C23H20N2O3/c1-2-15-24-22(26)17-7-6-8-18(16-17)23(27)25-19-11-13-21(14-12-19)28-20-9-4-3-5-10-20/h2-14,16H,1,15H2,(H,24,26)(H,25,27)
InChIKeyYBBMSDPEZUSTFY-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.65
Rot. Bonds7

About 3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide

3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide (PubChem CID 109051017) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
PubChem CID109051017
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C23H20N2O3/c1-2-15-24-22(26)17-7-6-8-18(16-17)23(27)25-19-11-13-21(14-12-19)28-20-9-4-3-5-10-20/h2-14,16H,1,15H2,(H,24,26)(H,25,27)
InChIKeyYBBMSDPEZUSTFY-UHFFFAOYSA-N
XLogP4.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
3-N-(4-acetylphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109051001
3-N-(3-chlorophenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050974
3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
N-(2-oxoethyl)-3-phenoxybenzamide
CID 100943832
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
3-ethoxy-N-prop-2-enylbenzamide
CID 4957446
methyl 3-[(4-prop-2-enoxyphenyl)carbamoyl]benzoate
CID 17175313
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide (CID 109051017) is 3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide is C=CCNC(=O)c1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide?
The InChIKey is YBBMSDPEZUSTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-2-15-24-22(26)17-7-6-8-18(16-17)23(27)25-19-11-13-21(14-12-19)28-20-9-4-3-5-10-20/h2-14,16H,1,15H2,(H,24,26)(H,25,27).
What are the key properties of 3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide?
3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide has a molecular weight of 372.42 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-phenoxyphenyl)-1-N-prop-2-enylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109051017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).