[[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea

C20H25N3O5 — CID 5036954

IUPAC[[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea
SMILESCCOc1cc(C=NNC(N)=O)ccc1OCCCOc1cccc(OC)c1
InChIInChI=1S/C20H25N3O5/c1-3-26-19-12-15(14-22-23-20(21)24)8-9-18(19)28-11-5-10-27-17-7-4-6-16(13-17)25-2/h4,6-9,12-14H,3,5,10-11H2,1-2H3,(H3,21,23,24)
InChIKeyHDBUWXWBEKEAKN-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.94
Rot. Bonds11

About [[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea

[[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea (PubChem CID 5036954) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is [[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea
PubChem CID5036954
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name[[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea
SMILESCCOc1cc(C=NNC(N)=O)ccc1OCCCOc1cccc(OC)c1
InChIInChI=1S/C20H25N3O5/c1-3-26-19-12-15(14-22-23-20(21)24)8-9-18(19)28-11-5-10-27-17-7-4-6-16(13-17)25-2/h4,6-9,12-14H,3,5,10-11H2,1-2H3,(H3,21,23,24)
InChIKeyHDBUWXWBEKEAKN-UHFFFAOYSA-N
XLogP2.94
TPSA104.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
CID 7832387
[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea
CID 112538734
[[4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]urea
CID 4692458
[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110535880
N-[[3-ethoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
CID 3612099
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19655720
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(E)-(4-hexadecoxy-3-methoxyphenyl)methylideneamino]urea
CID 10812700
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide
CID 9073708
methyl N-[[4-[3-(3,4-dimethylphenoxy)propoxy]-3-ethoxyphenyl]methylideneamino]carbamate
CID 3633129

Frequently Asked Questions

What is the IUPAC name of [[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea?
The IUPAC name of [[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea (CID 5036954) is [[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea.
What is the SMILES notation for [[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea?
The canonical SMILES for [[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea is CCOc1cc(C=NNC(N)=O)ccc1OCCCOc1cccc(OC)c1.
What is the InChIKey of [[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea?
The InChIKey is HDBUWXWBEKEAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-3-26-19-12-15(14-22-23-20(21)24)8-9-18(19)28-11-5-10-27-17-7-4-6-16(13-17)25-2/h4,6-9,12-14H,3,5,10-11H2,1-2H3,(H3,21,23,24).
What are the key properties of [[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea?
[[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea has a molecular weight of 387.44 g/mol, XLogP of 2.94, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-ethoxy-4-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]urea is sourced from PubChem (CID 5036954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).