1-dodecyl-3-(1H-inden-5-yl)urea

C22H34N2O — CID 161336230

IUPAC1-dodecyl-3-(1H-inden-5-yl)urea
SMILESCCCCCCCCCCCCNC(=O)Nc1ccc2c(c1)C=CC2
InChIInChI=1S/C22H34N2O/c1-2-3-4-5-6-7-8-9-10-11-17-23-22(25)24-21-16-15-19-13-12-14-20(19)18-21/h12,14-16,18H,2-11,13,17H2,1H3,(H2,23,24,25)
InChIKeyVMBMLRHDMPGHLP-UHFFFAOYSA-N
MW342.53 g/mol
LogP6.30
Rot. Bonds12

About 1-dodecyl-3-(1H-inden-5-yl)urea

1-dodecyl-3-(1H-inden-5-yl)urea (PubChem CID 161336230) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-dodecyl-3-(1H-inden-5-yl)urea.

Molecular Properties

Compound Name1-dodecyl-3-(1H-inden-5-yl)urea
PubChem CID161336230
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name1-dodecyl-3-(1H-inden-5-yl)urea
SMILESCCCCCCCCCCCCNC(=O)Nc1ccc2c(c1)C=CC2
InChIInChI=1S/C22H34N2O/c1-2-3-4-5-6-7-8-9-10-11-17-23-22(25)24-21-16-15-19-13-12-14-20(19)18-21/h12,14-16,18H,2-11,13,17H2,1H3,(H2,23,24,25)
InChIKeyVMBMLRHDMPGHLP-UHFFFAOYSA-N
XLogP6.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 56.30
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

1-(3-chlorophenyl)-3-undecylurea
CID 4294975
1-butyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 17267646
1-(1H-indol-6-yl)-3-pentylurea
CID 155412349
1-(1,3-benzodioxol-5-yl)-3-hexylurea
CID 4107112
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
1-dodecyl-3-phenylurea
CID 3697946
1-butyl-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901957
1-[4-(diethylamino)phenyl]-3-hexylurea
CID 71323969
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
1-hexyl-3-(4-methyl-3-nitrophenyl)urea
CID 47192495
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pentylurea
CID 47132513

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-3-(1H-inden-5-yl)urea?
The IUPAC name of 1-dodecyl-3-(1H-inden-5-yl)urea (CID 161336230) is 1-dodecyl-3-(1H-inden-5-yl)urea.
What is the SMILES notation for 1-dodecyl-3-(1H-inden-5-yl)urea?
The canonical SMILES for 1-dodecyl-3-(1H-inden-5-yl)urea is CCCCCCCCCCCCNC(=O)Nc1ccc2c(c1)C=CC2.
What is the InChIKey of 1-dodecyl-3-(1H-inden-5-yl)urea?
The InChIKey is VMBMLRHDMPGHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c1-2-3-4-5-6-7-8-9-10-11-17-23-22(25)24-21-16-15-19-13-12-14-20(19)18-21/h12,14-16,18H,2-11,13,17H2,1H3,(H2,23,24,25).
What are the key properties of 1-dodecyl-3-(1H-inden-5-yl)urea?
1-dodecyl-3-(1H-inden-5-yl)urea has a molecular weight of 342.53 g/mol, XLogP of 6.30, 12 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-3-(1H-inden-5-yl)urea is sourced from PubChem (CID 161336230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).