1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea

C24H25N3O4 — CID 3318003

IUPAC1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea
SMILESCOc1cccc(OCCCOc2ccccc2C=NNC(=O)Nc2ccccc2)c1
InChIInChI=1S/C24H25N3O4/c1-29-21-12-7-13-22(17-21)30-15-8-16-31-23-14-6-5-9-19(23)18-25-27-24(28)26-20-10-3-2-4-11-20/h2-7,9-14,17-18H,8,15-16H2,1H3,(H2,26,27,28)
InChIKeyCPHOZLMBINWYMA-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.70
Rot. Bonds10

About 1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea

1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea (PubChem CID 3318003) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea
PubChem CID3318003
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea
SMILESCOc1cccc(OCCCOc2ccccc2C=NNC(=O)Nc2ccccc2)c1
InChIInChI=1S/C24H25N3O4/c1-29-21-12-7-13-22(17-21)30-15-8-16-31-23-14-6-5-9-19(23)18-25-27-24(28)26-20-10-3-2-4-11-20/h2-7,9-14,17-18H,8,15-16H2,1H3,(H2,26,27,28)
InChIKeyCPHOZLMBINWYMA-UHFFFAOYSA-N
XLogP4.70
TPSA81.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.70
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide
CID 3660325
1-[(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 792835
1-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylurea
CID 5407236
1-(4-butoxyphenyl)-3-[(2,3-dimethoxyphenyl)methylideneamino]urea
CID 19169367
N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126277741
N-(3-methoxyphenyl)-N'-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]oxamide
CID 51061271
3-methoxy-N-[(E)-[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126267926
1-[[4-[3-(4-ethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]-3-phenylurea
CID 5200556
1-[[3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]-3-phenylurea
CID 5194197
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126265492
N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 51061218
N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126175158

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea?
The IUPAC name of 1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea (CID 3318003) is 1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea is COc1cccc(OCCCOc2ccccc2C=NNC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea?
The InChIKey is CPHOZLMBINWYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-29-21-12-7-13-22(17-21)30-15-8-16-31-23-14-6-5-9-19(23)18-25-27-24(28)26-20-10-3-2-4-11-20/h2-7,9-14,17-18H,8,15-16H2,1H3,(H2,26,27,28).
What are the key properties of 1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea?
1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea has a molecular weight of 419.48 g/mol, XLogP of 4.70, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea is sourced from PubChem (CID 3318003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).