1-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-phenylurea

C24H22N4O3 — CID 1348038

IUPAC1-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-phenylurea
SMILESCCOc1cc(C=NNC(=O)Nc2ccccc2)ccc1OCc1ccccc1C#N
InChIInChI=1S/C24H22N4O3/c1-2-30-23-14-18(16-26-28-24(29)27-21-10-4-3-5-11-21)12-13-22(23)31-17-20-9-7-6-8-19(20)15-25/h3-14,16H,2,17H2,1H3,(H2,27,28,29)
InChIKeyGDDGEYSBCNNYLJ-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.69
Rot. Bonds8

About 1-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-phenylurea

1-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-phenylurea (PubChem CID 1348038) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-phenylurea
PubChem CID1348038
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name1-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-phenylurea
SMILESCCOc1cc(C=NNC(=O)Nc2ccccc2)ccc1OCc1ccccc1C#N
InChIInChI=1S/C24H22N4O3/c1-2-30-23-14-18(16-26-28-24(29)27-21-10-4-3-5-11-21)12-13-22(23)31-17-20-9-7-6-8-19(20)15-25/h3-14,16H,2,17H2,1H3,(H2,27,28,29)
InChIKeyGDDGEYSBCNNYLJ-UHFFFAOYSA-N
XLogP4.69
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(2-fluorophenyl)butanediamide
CID 4989945
N-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N'-(2-fluorophenyl)-2-methylpropanediamide
CID 4210486
(E)-3-[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoic acid
CID 761941
N-[2-[(2Z)-2-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 6250613
(2S)-2-cyano-N-[(Z)-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 126212954
N'-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4088877
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 132913572
(E)-2-cyano-3-[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]-N-(3,5-dimethylphenyl)prop-2-enamide
CID 6086971
1-(4-chlorophenyl)-3-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]urea
CID 110535990
N-[(E)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
CID 126397284
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 96867311
N'-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-N-phenylbutanediamide
CID 5206383

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-phenylurea?
The IUPAC name of 1-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-phenylurea (CID 1348038) is 1-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-phenylurea is CCOc1cc(C=NNC(=O)Nc2ccccc2)ccc1OCc1ccccc1C#N.
What is the InChIKey of 1-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-phenylurea?
The InChIKey is GDDGEYSBCNNYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-2-30-23-14-18(16-26-28-24(29)27-21-10-4-3-5-11-21)12-13-22(23)31-17-20-9-7-6-8-19(20)15-25/h3-14,16H,2,17H2,1H3,(H2,27,28,29).
What are the key properties of 1-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-phenylurea?
1-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-phenylurea has a molecular weight of 414.47 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-phenylurea is sourced from PubChem (CID 1348038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).