octyl N,N-di(undecyl)carbamate

C31H63NO2 — CID 168918683

IUPACoctyl N,N-di(undecyl)carbamate
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)C(=O)OCCCCCCCC
InChIInChI=1S/C31H63NO2/c1-4-7-10-13-16-18-20-22-25-28-32(29-26-23-21-19-17-14-11-8-5-2)31(33)34-30-27-24-15-12-9-6-3/h4-30H2,1-3H3
InChIKeyVWKSWDXQHJWIHI-UHFFFAOYSA-N
MW481.85 g/mol
LogP10.85
Rot. Bonds27

About octyl N,N-di(undecyl)carbamate

octyl N,N-di(undecyl)carbamate (PubChem CID 168918683) has the molecular formula C31H63NO2 and a molecular weight of 481.85 g/mol. Its IUPAC name is octyl N,N-di(undecyl)carbamate.

Molecular Properties

Compound Nameoctyl N,N-di(undecyl)carbamate
PubChem CID168918683
Molecular FormulaC31H63NO2
Molecular Weight481.85 g/mol
Exact Mass481.49
IUPAC Nameoctyl N,N-di(undecyl)carbamate
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)C(=O)OCCCCCCCC
InChIInChI=1S/C31H63NO2/c1-4-7-10-13-16-18-20-22-25-28-32(29-26-23-21-19-17-14-11-8-5-2)31(33)34-30-27-24-15-12-9-6-3/h4-30H2,1-3H3
InChIKeyVWKSWDXQHJWIHI-UHFFFAOYSA-N
XLogP10.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.85
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octyl N,N-di(nonyl)carbamate
CID 168918776
propyl N,N-diheptylcarbamate
CID 168918832
ethyl N,N-di(heptadecyl)carbamate
CID 70629745
ethyl N,N-didodecylcarbamate
CID 70629624
ethyl N-[6-[ethoxycarbonyl(octyl)amino]hexyl]-N-octylcarbamate
CID 23053337
2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate
CID 57213221
chloromethyl N,N-di(pentadecyl)carbamate
CID 177225188
undecyl N-methyl-N-pentylcarbamate
CID 54297307
3-(dimethylamino)propyl N,N-bis(octadec-9-enyl)carbamate
CID 123568767
4-hydroxybutyl N,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]carbamate
CID 118057450
hexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate
CID 150139824
hexyl N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]carbamate
CID 162211687

Frequently Asked Questions

What is the IUPAC name of octyl N,N-di(undecyl)carbamate?
The IUPAC name of octyl N,N-di(undecyl)carbamate (CID 168918683) is octyl N,N-di(undecyl)carbamate.
What is the SMILES notation for octyl N,N-di(undecyl)carbamate?
The canonical SMILES for octyl N,N-di(undecyl)carbamate is CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)OCCCCCCCC.
What is the InChIKey of octyl N,N-di(undecyl)carbamate?
The InChIKey is VWKSWDXQHJWIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H63NO2/c1-4-7-10-13-16-18-20-22-25-28-32(29-26-23-21-19-17-14-11-8-5-2)31(33)34-30-27-24-15-12-9-6-3/h4-30H2,1-3H3.
What are the key properties of octyl N,N-di(undecyl)carbamate?
octyl N,N-di(undecyl)carbamate has a molecular weight of 481.85 g/mol, XLogP of 10.85, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N,N-di(undecyl)carbamate is sourced from PubChem (CID 168918683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).