1-(2-methylphenyl)-3-octoxyurea

C16H26N2O2 — CID 18807522

IUPAC1-(2-methylphenyl)-3-octoxyurea
SMILESCCCCCCCCONC(=O)Nc1ccccc1C
InChIInChI=1S/C16H26N2O2/c1-3-4-5-6-7-10-13-20-18-16(19)17-15-12-9-8-11-14(15)2/h8-9,11-12H,3-7,10,13H2,1-2H3,(H2,17,18,19)
InChIKeyWEFMNABPOWLVFF-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.41
Rot. Bonds9

About 1-(2-methylphenyl)-3-octoxyurea

1-(2-methylphenyl)-3-octoxyurea (PubChem CID 18807522) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-octoxyurea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-octoxyurea
PubChem CID18807522
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(2-methylphenyl)-3-octoxyurea
SMILESCCCCCCCCONC(=O)Nc1ccccc1C
InChIInChI=1S/C16H26N2O2/c1-3-4-5-6-7-10-13-20-18-16(19)17-15-12-9-8-11-14(15)2/h8-9,11-12H,3-7,10,13H2,1-2H3,(H2,17,18,19)
InChIKeyWEFMNABPOWLVFF-UHFFFAOYSA-N
XLogP4.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.41
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-phenylurea
CID 4061845
1-(4-bromophenyl)-3-nonoxyurea
CID 5119350
1-(4-bromophenyl)-3-octoxyurea
CID 4184989
1-(4-bromophenyl)-3-pentoxyurea
CID 5119118
N-(2-methylphenyl)-3-oxododecanamide
CID 25129600
octyl 2-[4-[(2-methylphenyl)carbamoyl]anilino]acetate
CID 46502632
1-butoxy-3-(4-methylphenyl)urea
CID 5118852
pentyl N-(2,3-dimethylphenyl)carbamate
CID 67224128
octadecyl N-(2,6-dimethylphenyl)carbamate
CID 10002058
decyl 2-(2-ethylanilino)-2-oxoacetate
CID 6423339
ethyl 2-(2-methylanilino)nonanoate
CID 63523920

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-octoxyurea?
The IUPAC name of 1-(2-methylphenyl)-3-octoxyurea (CID 18807522) is 1-(2-methylphenyl)-3-octoxyurea.
What is the SMILES notation for 1-(2-methylphenyl)-3-octoxyurea?
The canonical SMILES for 1-(2-methylphenyl)-3-octoxyurea is CCCCCCCCONC(=O)Nc1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)-3-octoxyurea?
The InChIKey is WEFMNABPOWLVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-4-5-6-7-10-13-20-18-16(19)17-15-12-9-8-11-14(15)2/h8-9,11-12H,3-7,10,13H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-methylphenyl)-3-octoxyurea?
1-(2-methylphenyl)-3-octoxyurea has a molecular weight of 278.40 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-octoxyurea is sourced from PubChem (CID 18807522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).