[[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea

C20H23N3O4 — CID 4998070

IUPAC[[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea
SMILESC=CCc1ccc(OCCOc2ccccc2C=NNC(N)=O)c(OC)c1
InChIInChI=1S/C20H23N3O4/c1-3-6-15-9-10-18(19(13-15)25-2)27-12-11-26-17-8-5-4-7-16(17)14-22-23-20(21)24/h3-5,7-10,13-14H,1,6,11-12H2,2H3,(H3,21,23,24)
InChIKeyKELDOXSCHDMIMG-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.88
Rot. Bonds10

About [[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea

[[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea (PubChem CID 4998070) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is [[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea
PubChem CID4998070
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name[[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea
SMILESC=CCc1ccc(OCCOc2ccccc2C=NNC(N)=O)c(OC)c1
InChIInChI=1S/C20H23N3O4/c1-3-6-15-9-10-18(19(13-15)25-2)27-12-11-26-17-8-5-4-7-16(17)14-22-23-20(21)24/h3-5,7-10,13-14H,1,6,11-12H2,2H3,(H3,21,23,24)
InChIKeyKELDOXSCHDMIMG-UHFFFAOYSA-N
XLogP2.88
TPSA95.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]-3-phenylurea
CID 5194197
methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate
CID 25251887
4-[[2-[(E)-[(3-methoxy-4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126328863
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(2-propoxyphenyl)methylideneamino]oxamide
CID 8988782
methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 2165957
[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]urea
CID 168532584
[4-[[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 5078894
[(Z)-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylideneamino]urea
CID 6054601
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126338184
4-[[2-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126342942
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474

Frequently Asked Questions

What is the IUPAC name of [[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea?
The IUPAC name of [[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea (CID 4998070) is [[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea is C=CCc1ccc(OCCOc2ccccc2C=NNC(N)=O)c(OC)c1.
What is the InChIKey of [[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea?
The InChIKey is KELDOXSCHDMIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-6-15-9-10-18(19(13-15)25-2)27-12-11-26-17-8-5-4-7-16(17)14-22-23-20(21)24/h3-5,7-10,13-14H,1,6,11-12H2,2H3,(H3,21,23,24).
What are the key properties of [[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea?
[[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea has a molecular weight of 369.42 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 4998070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).