N'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide

C24H21N3O4 — CID 126797593

IUPACN'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide
SMILESCOc1ccccc1C=C(C(=O)Nc1cccc(NC(=O)C(N)=O)c1)c1ccccc1
InChIInChI=1S/C24H21N3O4/c1-31-21-13-6-5-10-17(21)14-20(16-8-3-2-4-9-16)23(29)26-18-11-7-12-19(15-18)27-24(30)22(25)28/h2-15H,1H3,(H2,25,28)(H,26,29)(H,27,30)
InChIKeyJBSHAHIJKMMWHJ-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.30
Rot. Bonds6

About N'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide

N'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide (PubChem CID 126797593) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide.

Molecular Properties

Compound NameN'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide
PubChem CID126797593
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide
SMILESCOc1ccccc1C=C(C(=O)Nc1cccc(NC(=O)C(N)=O)c1)c1ccccc1
InChIInChI=1S/C24H21N3O4/c1-31-21-13-6-5-10-17(21)14-20(16-8-3-2-4-9-16)23(29)26-18-11-7-12-19(15-18)27-24(30)22(25)28/h2-15H,1H3,(H2,25,28)(H,26,29)(H,27,30)
InChIKeyJBSHAHIJKMMWHJ-UHFFFAOYSA-N
XLogP3.30
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-methylsulfanylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 16533995
(E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(2-methoxyphenyl)-2-phenylprop-2-enamide
CID 33259271
(E)-N-(3-acetylphenyl)-2-cyano-3-(2-methoxyphenyl)prop-2-enamide
CID 19175698
N-[(Z)-3-(3-bromoanilino)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2056331
(2-amino-2-oxoethyl) 3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 5025744
N-[(3-benzamidophenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 22780287
(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1334364
3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide
CID 2928456
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 7448232
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 2602268
(E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide
CID 39953949
(Z)-3-(2-bromophenyl)-N,2-diphenylprop-2-enamide
CID 171983498

Frequently Asked Questions

What is the IUPAC name of N'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide?
The IUPAC name of N'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide (CID 126797593) is N'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide.
What is the SMILES notation for N'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide?
The canonical SMILES for N'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide is COc1ccccc1C=C(C(=O)Nc1cccc(NC(=O)C(N)=O)c1)c1ccccc1.
What is the InChIKey of N'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide?
The InChIKey is JBSHAHIJKMMWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-31-21-13-6-5-10-17(21)14-20(16-8-3-2-4-9-16)23(29)26-18-11-7-12-19(15-18)27-24(30)22(25)28/h2-15H,1H3,(H2,25,28)(H,26,29)(H,27,30).
What are the key properties of N'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide?
N'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide has a molecular weight of 415.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide is sourced from PubChem (CID 126797593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).