1-dodecyl-3-phenylurea

C19H32N2O — CID 3697946

IUPAC1-dodecyl-3-phenylurea
SMILESCCCCCCCCCCCCNC(=O)Nc1ccccc1
InChIInChI=1S/C19H32N2O/c1-2-3-4-5-6-7-8-9-10-14-17-20-19(22)21-18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3,(H2,20,21,22)
InChIKeyMJNSDXVQSIPSQE-UHFFFAOYSA-N
MW304.48 g/mol
LogP5.73
Rot. Bonds12

About 1-dodecyl-3-phenylurea

1-dodecyl-3-phenylurea (PubChem CID 3697946) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-dodecyl-3-phenylurea.

Molecular Properties

Compound Name1-dodecyl-3-phenylurea
PubChem CID3697946
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name1-dodecyl-3-phenylurea
SMILESCCCCCCCCCCCCNC(=O)Nc1ccccc1
InChIInChI=1S/C19H32N2O/c1-2-3-4-5-6-7-8-9-10-14-17-20-19(22)21-18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3,(H2,20,21,22)
InChIKeyMJNSDXVQSIPSQE-UHFFFAOYSA-N
XLogP5.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(tetradecylcarbamoylamino)phenyl]benzamide
CID 24820448
1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea
CID 10659432
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
1-[4-(diethylamino)phenyl]-3-hexylurea
CID 71323969
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
2-(dodecylcarbamoylamino)benzoic acid
CID 150660429
[4-[[4-(pentylcarbamoylamino)phenyl]methyl]phenyl]carbamic acid
CID 69144351
3-(phenylcarbamoylamino)propane-1-sulfonic acid
CID 88585167
1-(4-methylsulfanylphenyl)-3-pentylurea
CID 21064485
5-(octadecylcarbamoylamino)benzene-1,3-dicarboxylic acid
CID 58559835

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-3-phenylurea?
The IUPAC name of 1-dodecyl-3-phenylurea (CID 3697946) is 1-dodecyl-3-phenylurea.
What is the SMILES notation for 1-dodecyl-3-phenylurea?
The canonical SMILES for 1-dodecyl-3-phenylurea is CCCCCCCCCCCCNC(=O)Nc1ccccc1.
What is the InChIKey of 1-dodecyl-3-phenylurea?
The InChIKey is MJNSDXVQSIPSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-2-3-4-5-6-7-8-9-10-14-17-20-19(22)21-18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3,(H2,20,21,22).
What are the key properties of 1-dodecyl-3-phenylurea?
1-dodecyl-3-phenylurea has a molecular weight of 304.48 g/mol, XLogP of 5.73, 12 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-phenylurea is sourced from PubChem (CID 3697946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).