1-(4-acetylphenyl)-3-[[2-(6-methoxynaphthalen-2-yl)oxyacetyl]amino]urea

C22H21N3O5 — CID 24819122

IUPAC1-(4-acetylphenyl)-3-[[2-(6-methoxynaphthalen-2-yl)oxyacetyl]amino]urea
SMILESCOc1ccc2cc(OCC(=O)NNC(=O)Nc3ccc(C(C)=O)cc3)ccc2c1
InChIInChI=1S/C22H21N3O5/c1-14(26)15-3-7-18(8-4-15)23-22(28)25-24-21(27)13-30-20-10-6-16-11-19(29-2)9-5-17(16)12-20/h3-12H,13H2,1-2H3,(H,24,27)(H2,23,25,28)
InChIKeyDZWQQIXGEBRRSL-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.28
Rot. Bonds6

About 1-(4-acetylphenyl)-3-[[2-(6-methoxynaphthalen-2-yl)oxyacetyl]amino]urea

1-(4-acetylphenyl)-3-[[2-(6-methoxynaphthalen-2-yl)oxyacetyl]amino]urea (PubChem CID 24819122) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[[2-(6-methoxynaphthalen-2-yl)oxyacetyl]amino]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[[2-(6-methoxynaphthalen-2-yl)oxyacetyl]amino]urea
PubChem CID24819122
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name1-(4-acetylphenyl)-3-[[2-(6-methoxynaphthalen-2-yl)oxyacetyl]amino]urea
SMILESCOc1ccc2cc(OCC(=O)NNC(=O)Nc3ccc(C(C)=O)cc3)ccc2c1
InChIInChI=1S/C22H21N3O5/c1-14(26)15-3-7-18(8-4-15)23-22(28)25-24-21(27)13-30-20-10-6-16-11-19(29-2)9-5-17(16)12-20/h3-12H,13H2,1-2H3,(H,24,27)(H2,23,25,28)
InChIKeyDZWQQIXGEBRRSL-UHFFFAOYSA-N
XLogP3.28
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(4-acetylphenyl)-3-[[2-(6-methoxynaphthalen-2-yl)oxyacetyl]amino]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[[2-(6-methoxynaphthalen-2-yl)oxyacetyl]amino]urea (CID 24819122) is 1-(4-acetylphenyl)-3-[[2-(6-methoxynaphthalen-2-yl)oxyacetyl]amino]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[[2-(6-methoxynaphthalen-2-yl)oxyacetyl]amino]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[[2-(6-methoxynaphthalen-2-yl)oxyacetyl]amino]urea is COc1ccc2cc(OCC(=O)NNC(=O)Nc3ccc(C(C)=O)cc3)ccc2c1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[[2-(6-methoxynaphthalen-2-yl)oxyacetyl]amino]urea?
The InChIKey is DZWQQIXGEBRRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-14(26)15-3-7-18(8-4-15)23-22(28)25-24-21(27)13-30-20-10-6-16-11-19(29-2)9-5-17(16)12-20/h3-12H,13H2,1-2H3,(H,24,27)(H2,23,25,28).
What are the key properties of 1-(4-acetylphenyl)-3-[[2-(6-methoxynaphthalen-2-yl)oxyacetyl]amino]urea?
1-(4-acetylphenyl)-3-[[2-(6-methoxynaphthalen-2-yl)oxyacetyl]amino]urea has a molecular weight of 407.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[[2-(6-methoxynaphthalen-2-yl)oxyacetyl]amino]urea is sourced from PubChem (CID 24819122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).