(3-hexoxyphenyl)urea

C13H20N2O2 — CID 102387253

IUPAC(3-hexoxyphenyl)urea
SMILESCCCCCCOc1cccc(NC(N)=O)c1
InChIInChI=1S/C13H20N2O2/c1-2-3-4-5-9-17-12-8-6-7-11(10-12)15-13(14)16/h6-8,10H,2-5,9H2,1H3,(H3,14,15,16)
InChIKeyIYLDPKYDMLYPAZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.14
Rot. Bonds7

About (3-hexoxyphenyl)urea

(3-hexoxyphenyl)urea (PubChem CID 102387253) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (3-hexoxyphenyl)urea.

Molecular Properties

Compound Name(3-hexoxyphenyl)urea
PubChem CID102387253
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(3-hexoxyphenyl)urea
SMILESCCCCCCOc1cccc(NC(N)=O)c1
InChIInChI=1S/C13H20N2O2/c1-2-3-4-5-9-17-12-8-6-7-11(10-12)15-13(14)16/h6-8,10H,2-5,9H2,1H3,(H3,14,15,16)
InChIKeyIYLDPKYDMLYPAZ-UHFFFAOYSA-N
XLogP3.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
2-(ethylamino)-N-(3-hexoxyphenyl)acetamide
CID 54820702
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098
N-(3-hexoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 17094764
N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 54817631
2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide
CID 54813824
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
2-[(3-undecoxyphenyl)carbamoyl]benzoic acid
CID 51001454
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
2-(tert-butylamino)-N-(3-heptoxyphenyl)acetamide
CID 54813608

Frequently Asked Questions

What is the IUPAC name of (3-hexoxyphenyl)urea?
The IUPAC name of (3-hexoxyphenyl)urea (CID 102387253) is (3-hexoxyphenyl)urea.
What is the SMILES notation for (3-hexoxyphenyl)urea?
The canonical SMILES for (3-hexoxyphenyl)urea is CCCCCCOc1cccc(NC(N)=O)c1.
What is the InChIKey of (3-hexoxyphenyl)urea?
The InChIKey is IYLDPKYDMLYPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-3-4-5-9-17-12-8-6-7-11(10-12)15-13(14)16/h6-8,10H,2-5,9H2,1H3,(H3,14,15,16).
What are the key properties of (3-hexoxyphenyl)urea?
(3-hexoxyphenyl)urea has a molecular weight of 236.31 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hexoxyphenyl)urea is sourced from PubChem (CID 102387253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).