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

C19H17N3O3 — CID 22299122

IUPAC1-[(2-naphthalen-1-yloxyacetyl)amino]-1-phenylurea
SMILESNC(=O)N(NC(=O)COc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H17N3O3/c20-19(24)22(15-9-2-1-3-10-15)21-18(23)13-25-17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H2,20,24)(H,21,23)
InChIKeyZLXOTOJKORFKAJ-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.84
Rot. Bonds4

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

1-[(2-naphthalen-1-yloxyacetyl)amino]-1-phenylurea (PubChem CID 22299122) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[(2-naphthalen-1-yloxyacetyl)amino]-1-phenylurea.

Molecular Properties

Compound Name1-[(2-naphthalen-1-yloxyacetyl)amino]-1-phenylurea
PubChem CID22299122
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name1-[(2-naphthalen-1-yloxyacetyl)amino]-1-phenylurea
SMILESNC(=O)N(NC(=O)COc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H17N3O3/c20-19(24)22(15-9-2-1-3-10-15)21-18(23)13-25-17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H2,20,24)(H,21,23)
InChIKeyZLXOTOJKORFKAJ-UHFFFAOYSA-N
XLogP2.84
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[(2-naphthalen-1-yloxyacetyl)amino]-4-oxobutanoic acid
CID 19038771
N-[4-(dimethylamino)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2327581
N'-acetyl-2-naphthalen-1-yloxyacetohydrazide
CID 922179
N-tert-butyl-2-naphthalen-1-yloxyacetamide
CID 954544
N-(benzylcarbamoyl)-2-naphthalen-1-yloxyacetamide
CID 7860175
2-naphthalen-1-yloxy-N-(1-phenylethyl)acetamide
CID 4513591
2-naphthalen-2-yloxy-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4228152
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 773201
benzene;naphthalen-1-yloxymethanol
CID 70447137
2-naphthalen-1-yloxy-N-[2-[(2-naphthalen-1-yloxyacetyl)amino]cyclohexyl]acetamide
CID 5176839
N-(5-iodo-2-pyridinyl)-2-naphthalen-1-yloxyacetamide
CID 112797610
2-naphthalen-1-yloxy-N-phenyl-N-prop-2-enylacetamide
CID 112795612

Frequently Asked Questions

What is the IUPAC name of 1-[(2-naphthalen-1-yloxyacetyl)amino]-1-phenylurea?
The IUPAC name of 1-[(2-naphthalen-1-yloxyacetyl)amino]-1-phenylurea (CID 22299122) is 1-[(2-naphthalen-1-yloxyacetyl)amino]-1-phenylurea.
What is the SMILES notation for 1-[(2-naphthalen-1-yloxyacetyl)amino]-1-phenylurea?
The canonical SMILES for 1-[(2-naphthalen-1-yloxyacetyl)amino]-1-phenylurea is NC(=O)N(NC(=O)COc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-[(2-naphthalen-1-yloxyacetyl)amino]-1-phenylurea?
The InChIKey is ZLXOTOJKORFKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c20-19(24)22(15-9-2-1-3-10-15)21-18(23)13-25-17-12-6-8-14-7-4-5-11-16(14)17/h1-12H,13H2,(H2,20,24)(H,21,23).
What are the key properties of 1-[(2-naphthalen-1-yloxyacetyl)amino]-1-phenylurea?
1-[(2-naphthalen-1-yloxyacetyl)amino]-1-phenylurea has a molecular weight of 335.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-naphthalen-1-yloxyacetyl)amino]-1-phenylurea is sourced from PubChem (CID 22299122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).