1-[(2-naphthalen-1-yloxyacetyl)amino]-3-phenylurea

C19H17N3O3 — CID 730179

IUPAC1-[(2-naphthalen-1-yloxyacetyl)amino]-3-phenylurea
SMILESO=C(COc1cccc2ccccc12)NNC(=O)Nc1ccccc1
InChIInChI=1S/C19H17N3O3/c23-18(21-22-19(24)20-15-9-2-1-3-10-15)13-25-17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H,21,23)(H2,20,22,24)
InChIKeyFKVZCDIVWBGMRT-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.07
Rot. Bonds4

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

1-[(2-naphthalen-1-yloxyacetyl)amino]-3-phenylurea (PubChem CID 730179) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-phenylurea.

Molecular Properties

Compound Name1-[(2-naphthalen-1-yloxyacetyl)amino]-3-phenylurea
PubChem CID730179
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name1-[(2-naphthalen-1-yloxyacetyl)amino]-3-phenylurea
SMILESO=C(COc1cccc2ccccc12)NNC(=O)Nc1ccccc1
InChIInChI=1S/C19H17N3O3/c23-18(21-22-19(24)20-15-9-2-1-3-10-15)13-25-17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H,21,23)(H2,20,22,24)
InChIKeyFKVZCDIVWBGMRT-UHFFFAOYSA-N
XLogP3.07
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(2-naphthalen-1-yloxyacetyl)amino]-3-phenylurea?
The IUPAC name of 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-phenylurea (CID 730179) is 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-phenylurea.
What is the SMILES notation for 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-phenylurea?
The canonical SMILES for 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-phenylurea is O=C(COc1cccc2ccccc12)NNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-phenylurea?
The InChIKey is FKVZCDIVWBGMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18(21-22-19(24)20-15-9-2-1-3-10-15)13-25-17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H,21,23)(H2,20,22,24).
What are the key properties of 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-phenylurea?
1-[(2-naphthalen-1-yloxyacetyl)amino]-3-phenylurea has a molecular weight of 335.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-naphthalen-1-yloxyacetyl)amino]-3-phenylurea is sourced from PubChem (CID 730179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).