pentyl N-(pentoxycarbonylamino)carbamate

C12H24N2O4 — CID 71445161

IUPACpentyl N-(pentoxycarbonylamino)carbamate
SMILESCCCCCOC(=O)NNC(=O)OCCCCC
InChIInChI=1S/C12H24N2O4/c1-3-5-7-9-17-11(15)13-14-12(16)18-10-8-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyACSLWGFBWCILEB-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.73
Rot. Bonds8

About pentyl N-(pentoxycarbonylamino)carbamate

pentyl N-(pentoxycarbonylamino)carbamate (PubChem CID 71445161) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is pentyl N-(pentoxycarbonylamino)carbamate.

Molecular Properties

Compound Namepentyl N-(pentoxycarbonylamino)carbamate
PubChem CID71445161
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Namepentyl N-(pentoxycarbonylamino)carbamate
SMILESCCCCCOC(=O)NNC(=O)OCCCCC
InChIInChI=1S/C12H24N2O4/c1-3-5-7-9-17-11(15)13-14-12(16)18-10-8-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyACSLWGFBWCILEB-UHFFFAOYSA-N
XLogP2.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

henicosyl N-aminocarbamate
CID 174861039
octyl N-aminocarbamate
CID 129323256
hexyl carbonate;tin(4+)
CID 161248658
methyl N-hexoxycarbonylcarbamate
CID 153299552
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
tetradecyl N-(hydroxymethyl)carbamate
CID 71348472
dodecyl N-[(E)-2-(dodecoxycarbonylamino)ethenyl]carbamate
CID 3033556
hexyl N-tetradecylcarbamate
CID 91739120
dodecoxycarbonylcarbamic acid
CID 19778443
octadecyl N-propylcarbamate
CID 175015942
dodecyl carbonate;methylazanium
CID 141334888

Frequently Asked Questions

What is the IUPAC name of pentyl N-(pentoxycarbonylamino)carbamate?
The IUPAC name of pentyl N-(pentoxycarbonylamino)carbamate (CID 71445161) is pentyl N-(pentoxycarbonylamino)carbamate.
What is the SMILES notation for pentyl N-(pentoxycarbonylamino)carbamate?
The canonical SMILES for pentyl N-(pentoxycarbonylamino)carbamate is CCCCCOC(=O)NNC(=O)OCCCCC.
What is the InChIKey of pentyl N-(pentoxycarbonylamino)carbamate?
The InChIKey is ACSLWGFBWCILEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-3-5-7-9-17-11(15)13-14-12(16)18-10-8-6-4-2/h3-10H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of pentyl N-(pentoxycarbonylamino)carbamate?
pentyl N-(pentoxycarbonylamino)carbamate has a molecular weight of 260.33 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-(pentoxycarbonylamino)carbamate is sourced from PubChem (CID 71445161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).