1-dodecyl-3-(4-methoxyphenyl)urea

C20H34N2O2 — CID 172727415

IUPAC1-dodecyl-3-(4-methoxyphenyl)urea
SMILESCCCCCCCCCCCCNC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C20H34N2O2/c1-3-4-5-6-7-8-9-10-11-12-17-21-20(23)22-18-13-15-19(24-2)16-14-18/h13-16H,3-12,17H2,1-2H3,(H2,21,22,23)
InChIKeyHIFXCLUEUQIWJE-UHFFFAOYSA-N
MW334.50 g/mol
LogP5.74
Rot. Bonds13

About 1-dodecyl-3-(4-methoxyphenyl)urea

1-dodecyl-3-(4-methoxyphenyl)urea (PubChem CID 172727415) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 1-dodecyl-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-dodecyl-3-(4-methoxyphenyl)urea
PubChem CID172727415
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name1-dodecyl-3-(4-methoxyphenyl)urea
SMILESCCCCCCCCCCCCNC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C20H34N2O2/c1-3-4-5-6-7-8-9-10-11-12-17-21-20(23)22-18-13-15-19(24-2)16-14-18/h13-16H,3-12,17H2,1-2H3,(H2,21,22,23)
InChIKeyHIFXCLUEUQIWJE-UHFFFAOYSA-N
XLogP5.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 55.74
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-(6-hydroxyhexyl)-3-(4-methoxyphenyl)urea
CID 103918690
1-dodecyl-3-(4-methoxyphenyl)thiourea
CID 19651361
1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea
CID 47202619
1-[4-[4-(4-hydroxyphenoxy)phenoxy]phenyl]-3-octadecylurea
CID 18183904
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
1-dodecyl-3-phenylurea
CID 3697946
1-[2-(4-methoxyphenyl)ethyl]-3-octadecylurea
CID 139817703
2-(heptylamino)-N-(4-methoxyphenyl)acetamide
CID 54814691
1-[4-(diethylamino)phenyl]-3-hexylurea
CID 71323969
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-methoxy-N-nonylbenzamide
CID 3557385

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-dodecyl-3-(4-methoxyphenyl)urea (CID 172727415) is 1-dodecyl-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-dodecyl-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-dodecyl-3-(4-methoxyphenyl)urea is CCCCCCCCCCCCNC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 1-dodecyl-3-(4-methoxyphenyl)urea?
The InChIKey is HIFXCLUEUQIWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-3-4-5-6-7-8-9-10-11-12-17-21-20(23)22-18-13-15-19(24-2)16-14-18/h13-16H,3-12,17H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-dodecyl-3-(4-methoxyphenyl)urea?
1-dodecyl-3-(4-methoxyphenyl)urea has a molecular weight of 334.50 g/mol, XLogP of 5.74, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 172727415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).