N,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide

C27H28N2O3 — CID 71951855

IUPACN,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)C(=Cc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C27H28N2O3/c1-4-29(5-2)27(31)23-13-9-10-14-25(23)28-26(30)24(21-11-7-6-8-12-21)19-20-15-17-22(32-3)18-16-20/h6-19H,4-5H2,1-3H3,(H,28,30)
InChIKeyCCEJNJSGPHPNSV-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.36
Rot. Bonds8

About N,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide

N,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide (PubChem CID 71951855) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide
PubChem CID71951855
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC NameN,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)C(=Cc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C27H28N2O3/c1-4-29(5-2)27(31)23-13-9-10-14-25(23)28-26(30)24(21-11-7-6-8-12-21)19-20-15-17-22(32-3)18-16-20/h6-19H,4-5H2,1-3H3,(H,28,30)
InChIKeyCCEJNJSGPHPNSV-UHFFFAOYSA-N
XLogP5.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[(E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzoate
CID 1316307
N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 2912906
2-[[(E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 25304573
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
(E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321615
ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate
CID 19165915
(E)-N-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321037
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 2290505
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
N,N-diethyl-2-[2-(4-methoxyphenyl)ethenyl]benzamide
CID 54111558
2-[[(Z)-2-chloro-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 156597695

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide (CID 71951855) is N,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide is CCN(CC)C(=O)c1ccccc1NC(=O)C(=Cc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of N,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide?
The InChIKey is CCEJNJSGPHPNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-4-29(5-2)27(31)23-13-9-10-14-25(23)28-26(30)24(21-11-7-6-8-12-21)19-20-15-17-22(32-3)18-16-20/h6-19H,4-5H2,1-3H3,(H,28,30).
What are the key properties of N,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide?
N,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide has a molecular weight of 428.53 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 71951855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).