1-(3-methoxyphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea

C20H19N3O4 — CID 17374781

IUPAC1-(3-methoxyphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea
SMILESCOc1cccc(NC(=O)NNC(=O)COc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H19N3O4/c1-26-17-8-4-7-16(12-17)21-20(25)23-22-19(24)13-27-18-10-9-14-5-2-3-6-15(14)11-18/h2-12H,13H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyYOMMRMQTVLOTOB-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.08
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea

1-(3-methoxyphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea (PubChem CID 17374781) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea
PubChem CID17374781
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name1-(3-methoxyphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea
SMILESCOc1cccc(NC(=O)NNC(=O)COc2ccc3ccccc3c2)c1
InChIInChI=1S/C20H19N3O4/c1-26-17-8-4-7-16(12-17)21-20(25)23-22-19(24)13-27-18-10-9-14-5-2-3-6-15(14)11-18/h2-12H,13H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyYOMMRMQTVLOTOB-UHFFFAOYSA-N
XLogP3.08
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.08
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea (CID 17374781) is 1-(3-methoxyphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea is COc1cccc(NC(=O)NNC(=O)COc2ccc3ccccc3c2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea?
The InChIKey is YOMMRMQTVLOTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-26-17-8-4-7-16(12-17)21-20(25)23-22-19(24)13-27-18-10-9-14-5-2-3-6-15(14)11-18/h2-12H,13H2,1H3,(H,22,24)(H2,21,23,25).
What are the key properties of 1-(3-methoxyphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea?
1-(3-methoxyphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea has a molecular weight of 365.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea is sourced from PubChem (CID 17374781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).