(E)-N-[(E)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]carbamimidoyl]-3-phenylprop-2-enamide

C19H20N4O2 — CID 135976604

IUPAC(E)-N-[(E)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]carbamimidoyl]-3-phenylprop-2-enamide
SMILESCOc1ccc(/C(C)=N/N=C(\N)NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H20N4O2/c1-14(16-9-11-17(25-2)12-10-16)22-23-19(20)21-18(24)13-8-15-6-4-3-5-7-15/h3-13H,1-2H3,(H3,20,21,23,24)/b13-8+,22-14+
InChIKeyZWPDWMCKFSGUNG-OJPKGUMCSA-N
MW336.40 g/mol
LogP2.56
Rot. Bonds5

About (E)-N-[(E)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]carbamimidoyl]-3-phenylprop-2-enamide

(E)-N-[(E)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]carbamimidoyl]-3-phenylprop-2-enamide (PubChem CID 135976604) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (E)-N-[(E)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]carbamimidoyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(E)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]carbamimidoyl]-3-phenylprop-2-enamide
PubChem CID135976604
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(E)-N-[(E)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]carbamimidoyl]-3-phenylprop-2-enamide
SMILESCOc1ccc(/C(C)=N/N=C(\N)NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H20N4O2/c1-14(16-9-11-17(25-2)12-10-16)22-23-19(20)21-18(24)13-8-15-6-4-3-5-7-15/h3-13H,1-2H3,(H3,20,21,23,24)/b13-8+,22-14+
InChIKeyZWPDWMCKFSGUNG-OJPKGUMCSA-N
XLogP2.56
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methoxyphenyl)ethanone (4-hydroxy-6-phenyl-2-pyrimidinyl)hydrazone
CID 135437622
3-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135488697
2-[(2E)-2-[1-(4-methoxyphenyl)propan-2-ylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135519884
1-Cyano-3-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butyl]-2-methylguanidine
CID 13103588
2-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]guanidine
CID 52942731
2-[(Z)-[(E)-1-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]guanidine
CID 52945003
(E)-N-[(E)-N'-[(E)-(4-fluorophenyl)methylideneamino]carbamimidoyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 135976610
(E)-N-[N-[(Z)-(4-fluorophenyl)methyleneamino]carbamimidoyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 136195489
(E)-N-[(E)-N'-[(E)-(3,4-dimethoxyphenyl)methylideneamino]carbamimidoyl]-3-phenylprop-2-enamide
CID 135976600
(E)-N-[(E)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]carbamimidoyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 135976609
(E)-N-[(E)-N'-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]carbamimidoyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 135976611
(E)-3-(4-methoxyphenyl)-N-[(E)-N'-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]carbamimidoyl]prop-2-enamide
CID 135976612

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]carbamimidoyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(E)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]carbamimidoyl]-3-phenylprop-2-enamide (CID 135976604) is (E)-N-[(E)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]carbamimidoyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(E)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]carbamimidoyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(E)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]carbamimidoyl]-3-phenylprop-2-enamide is COc1ccc(/C(C)=N/N=C(\N)NC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[(E)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]carbamimidoyl]-3-phenylprop-2-enamide?
The InChIKey is ZWPDWMCKFSGUNG-OJPKGUMCSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14(16-9-11-17(25-2)12-10-16)22-23-19(20)21-18(24)13-8-15-6-4-3-5-7-15/h3-13H,1-2H3,(H3,20,21,23,24)/b13-8+,22-14+.
What are the key properties of (E)-N-[(E)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]carbamimidoyl]-3-phenylprop-2-enamide?
(E)-N-[(E)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]carbamimidoyl]-3-phenylprop-2-enamide has a molecular weight of 336.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]carbamimidoyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 135976604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).