1-butoxy-3-phenylurea

C11H16N2O2 — CID 4061845

IUPAC1-butoxy-3-phenylurea
SMILESCCCCONC(=O)Nc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-2-3-9-15-13-11(14)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,12,13,14)
InChIKeyXRCMMWXIGOXMAY-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.54
Rot. Bonds5

About 1-butoxy-3-phenylurea

1-butoxy-3-phenylurea (PubChem CID 4061845) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-butoxy-3-phenylurea.

Molecular Properties

Compound Name1-butoxy-3-phenylurea
PubChem CID4061845
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-butoxy-3-phenylurea
SMILESCCCCONC(=O)Nc1ccccc1
InChIInChI=1S/C11H16N2O2/c1-2-3-9-15-13-11(14)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,12,13,14)
InChIKeyXRCMMWXIGOXMAY-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-pentoxy-3-phenylurea
CID 5118367
1-butoxy-3-(4-methylphenyl)urea
CID 5118852
butyl N-(phenylcarbamoyl)carbamate
CID 67363969
1-(4-bromophenyl)-3-pentoxyurea
CID 5119118
1-(4-bromophenyl)-3-nonoxyurea
CID 5119350
1-(4-bromophenyl)-3-octoxyurea
CID 4184989
1-(2-butoxyphenyl)-3-phenylurea
CID 17087022
1-(2-methylphenyl)-3-octoxyurea
CID 18807522
dodecyl N-phenylcarbamate
CID 521818
1-dodecyl-3-phenylurea
CID 3697946
butyl N-anilinocarbamate
CID 57279128
1-(octanoylamino)-3-phenylurea
CID 5130887

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-phenylurea?
The IUPAC name of 1-butoxy-3-phenylurea (CID 4061845) is 1-butoxy-3-phenylurea.
What is the SMILES notation for 1-butoxy-3-phenylurea?
The canonical SMILES for 1-butoxy-3-phenylurea is CCCCONC(=O)Nc1ccccc1.
What is the InChIKey of 1-butoxy-3-phenylurea?
The InChIKey is XRCMMWXIGOXMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-3-9-15-13-11(14)12-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,12,13,14).
What are the key properties of 1-butoxy-3-phenylurea?
1-butoxy-3-phenylurea has a molecular weight of 208.26 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-phenylurea is sourced from PubChem (CID 4061845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).