6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate

C13H26N2O4 — CID 155481140

IUPAC6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate
SMILESCCNC(=O)OC(C)CCCCNC(=O)OC(C)C
InChIInChI=1S/C13H26N2O4/c1-5-14-12(16)19-11(4)8-6-7-9-15-13(17)18-10(2)3/h10-11H,5-9H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyRDFOCMNBCGRLKX-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.43
Rot. Bonds8

About 6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate

6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate (PubChem CID 155481140) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate.

Molecular Properties

Compound Name6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate
PubChem CID155481140
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate
SMILESCCNC(=O)OC(C)CCCCNC(=O)OC(C)C
InChIInChI=1S/C13H26N2O4/c1-5-14-12(16)19-11(4)8-6-7-9-15-13(17)18-10(2)3/h10-11H,5-9H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyRDFOCMNBCGRLKX-UHFFFAOYSA-N
XLogP2.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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propan-2-yl N-[4-[methyl(methylidene)-λ4-sulfanyl]butyl]carbamate
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CID 87069299
propan-2-yl N-(3-methylsulfonylpropyl)carbamate
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butan-2-yl N-[4-(dimethylamino)butyl]carbamate
CID 20721719
propan-2-yl N-(2-chloroethyl)carbamate
CID 15649892
propan-2-yl N-[6-[3,5-bis[6-[1-(2-methylaziridin-1-yl)propan-2-yloxycarbonylamino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl]carbamate
CID 166810444
propan-2-yl N-[2-(diethylamino)ethyl]carbamate
CID 116653752
2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate
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molecular hydrogen;propan-2-yl N-[3-[ethyl(propyl)amino]propyl]carbamate
CID 154661279

Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate?
The IUPAC name of 6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate (CID 155481140) is 6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate.
What is the SMILES notation for 6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate?
The canonical SMILES for 6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate is CCNC(=O)OC(C)CCCCNC(=O)OC(C)C.
What is the InChIKey of 6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate?
The InChIKey is RDFOCMNBCGRLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-5-14-12(16)19-11(4)8-6-7-9-15-13(17)18-10(2)3/h10-11H,5-9H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of 6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate?
6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate has a molecular weight of 274.36 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate is sourced from PubChem (CID 155481140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).