1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea

C21H21N3O4 — CID 25237331

IUPAC1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea
SMILESCOc1ccc(C)cc1NC(=O)NNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C21H21N3O4/c1-14-7-10-19(27-2)18(11-14)22-21(26)24-23-20(25)13-28-17-9-8-15-5-3-4-6-16(15)12-17/h3-12H,13H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyIGIPIIOFSLEOML-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.39
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea

1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea (PubChem CID 25237331) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea
PubChem CID25237331
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea
SMILESCOc1ccc(C)cc1NC(=O)NNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C21H21N3O4/c1-14-7-10-19(27-2)18(11-14)22-21(26)24-23-20(25)13-28-17-9-8-15-5-3-4-6-16(15)12-17/h3-12H,13H2,1-2H3,(H,23,25)(H2,22,24,26)
InChIKeyIGIPIIOFSLEOML-UHFFFAOYSA-N
XLogP3.39
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea
CID 2206228
1-(2-methoxy-5-methylphenyl)-3-[(2-phenylacetyl)amino]urea
CID 4516972
5-bromo-2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 17094356
N-(2-chloro-5-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 112811882
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
N-(2-methoxy-5-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
CID 2108595
2-(3,5-dimethoxyphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7707192
N-(2-hydroxy-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 2688141
4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 809232
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-naphthalen-2-yloxyacetamide
CID 26205520
N-(2,5-dimethylphenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652754
N-(2-chloro-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 7926753

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea (CID 25237331) is 1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea is COc1ccc(C)cc1NC(=O)NNC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea?
The InChIKey is IGIPIIOFSLEOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-7-10-19(27-2)18(11-14)22-21(26)24-23-20(25)13-28-17-9-8-15-5-3-4-6-16(15)12-17/h3-12H,13H2,1-2H3,(H,23,25)(H2,22,24,26).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea?
1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea has a molecular weight of 379.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea is sourced from PubChem (CID 25237331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).