dodecan-2-yl N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate

C26H44N2O3 — CID 10025826

IUPACdodecan-2-yl N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate
SMILESCCCCCCCCCCC(C)OC(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H44N2O3/c1-7-8-9-10-11-12-13-14-16-21(6)31-26(30)28-25(29)27-24-22(19(2)3)17-15-18-23(24)20(4)5/h15,17-21H,7-14,16H2,1-6H3,(H2,27,28,29,30)
InChIKeyCJYIDUKGXVNPAX-UHFFFAOYSA-N
MW432.65 g/mol
LogP8.11
Rot. Bonds13

About dodecan-2-yl N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate

dodecan-2-yl N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate (PubChem CID 10025826) has the molecular formula C26H44N2O3 and a molecular weight of 432.65 g/mol. Its IUPAC name is dodecan-2-yl N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate.

Molecular Properties

Compound Namedodecan-2-yl N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate
PubChem CID10025826
Molecular FormulaC26H44N2O3
Molecular Weight432.65 g/mol
Exact Mass432.34
IUPAC Namedodecan-2-yl N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate
SMILESCCCCCCCCCCC(C)OC(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H44N2O3/c1-7-8-9-10-11-12-13-14-16-21(6)31-26(30)28-25(29)27-24-22(19(2)3)17-15-18-23(24)20(4)5/h15,17-21H,7-14,16H2,1-6H3,(H2,27,28,29,30)
InChIKeyCJYIDUKGXVNPAX-UHFFFAOYSA-N
XLogP8.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.65
LogP ≤ 58.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-dodecan-2-ylurea
CID 141032891
1-[2,6-di(propan-2-yl)phenyl]-3-octadecylurea
CID 10434973
1-decan-2-ylsulfonyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10432503
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
ethyl 2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]hexanoate
CID 3779877
1-[2,6-di(propan-2-yl)phenyl]-3-(1-phenyltetradecylsulfonyl)urea
CID 19611842
1-[2,6-di(propan-2-yl)phenyl]-3-(hexylsulfamoyl)urea
CID 10667693
2-hydroxy-6-(octan-2-yloxycarbonylamino)benzoic acid
CID 19000976
1-(2,2-diethyldodecyl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10049142
1-[2,6-di(propan-2-yl)phenyl]-3-(2-dodecyl-1,2,4-triazol-3-yl)urea
CID 10527767
1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(octadecyl)sulfamoyl]urea
CID 10578886
1-[2,6-di(propan-2-yl)phenyl]-3-(2-undecylpyrazol-3-yl)urea
CID 19812020

Frequently Asked Questions

What is the IUPAC name of dodecan-2-yl N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate?
The IUPAC name of dodecan-2-yl N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate (CID 10025826) is dodecan-2-yl N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate.
What is the SMILES notation for dodecan-2-yl N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate?
The canonical SMILES for dodecan-2-yl N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate is CCCCCCCCCCC(C)OC(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of dodecan-2-yl N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate?
The InChIKey is CJYIDUKGXVNPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O3/c1-7-8-9-10-11-12-13-14-16-21(6)31-26(30)28-25(29)27-24-22(19(2)3)17-15-18-23(24)20(4)5/h15,17-21H,7-14,16H2,1-6H3,(H2,27,28,29,30).
What are the key properties of dodecan-2-yl N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate?
dodecan-2-yl N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate has a molecular weight of 432.65 g/mol, XLogP of 8.11, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-2-yl N-[[2,6-di(propan-2-yl)phenyl]carbamoyl]carbamate is sourced from PubChem (CID 10025826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).