propan-2-yl N-[6-(propan-2-yloxycarbonylamino)hexyl]carbamate

C14H28N2O4 — CID 5205065

IUPACpropan-2-yl N-[6-(propan-2-yloxycarbonylamino)hexyl]carbamate
SMILESCC(C)OC(=O)NCCCCCCNC(=O)OC(C)C
InChIInChI=1S/C14H28N2O4/c1-11(2)19-13(17)15-9-7-5-6-8-10-16-14(18)20-12(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyNZPGYDNGMYNZPZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.82
Rot. Bonds9

About propan-2-yl N-[6-(propan-2-yloxycarbonylamino)hexyl]carbamate

propan-2-yl N-[6-(propan-2-yloxycarbonylamino)hexyl]carbamate (PubChem CID 5205065) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is propan-2-yl N-[6-(propan-2-yloxycarbonylamino)hexyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[6-(propan-2-yloxycarbonylamino)hexyl]carbamate
PubChem CID5205065
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Namepropan-2-yl N-[6-(propan-2-yloxycarbonylamino)hexyl]carbamate
SMILESCC(C)OC(=O)NCCCCCCNC(=O)OC(C)C
InChIInChI=1S/C14H28N2O4/c1-11(2)19-13(17)15-9-7-5-6-8-10-16-14(18)20-12(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyNZPGYDNGMYNZPZ-UHFFFAOYSA-N
XLogP2.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.82
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

Carbamic acid, N,N'-1,6-hexanediylbis-, C,C'-diethyl ester
CID 76472
Propylene diurethane
CID 295941
2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexyl]carbamate
CID 542364
Carbamic acid, butyl-, 1,2-ethanediyl ester
CID 44392415
N-(tert-Butoxycarbonyl)-1,5-diaminopentane
CID 4352
N-BOC-1,6-diaminohexane
CID 2733170
tert-Butyl (6-aminohexyl)carbamate monohydrochloride
CID 3017638
[3-methoxy-2-(octylcarbamoyloxy)propyl] N-octylcarbamate
CID 71449940
1-[(Methoxycarbonyl)amino]propan-2-YL N-butylcarbamate
CID 4183002
Methyl (6-aminohexyl)carbamate
CID 10103654
Amylurethane
CID 95789
Butyl N-[6-(butoxycarbonylamino)hexyl]carbamate
CID 4144629

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[6-(propan-2-yloxycarbonylamino)hexyl]carbamate?
The IUPAC name of propan-2-yl N-[6-(propan-2-yloxycarbonylamino)hexyl]carbamate (CID 5205065) is propan-2-yl N-[6-(propan-2-yloxycarbonylamino)hexyl]carbamate.
What is the SMILES notation for propan-2-yl N-[6-(propan-2-yloxycarbonylamino)hexyl]carbamate?
The canonical SMILES for propan-2-yl N-[6-(propan-2-yloxycarbonylamino)hexyl]carbamate is CC(C)OC(=O)NCCCCCCNC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[6-(propan-2-yloxycarbonylamino)hexyl]carbamate?
The InChIKey is NZPGYDNGMYNZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-11(2)19-13(17)15-9-7-5-6-8-10-16-14(18)20-12(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of propan-2-yl N-[6-(propan-2-yloxycarbonylamino)hexyl]carbamate?
propan-2-yl N-[6-(propan-2-yloxycarbonylamino)hexyl]carbamate has a molecular weight of 288.39 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[6-(propan-2-yloxycarbonylamino)hexyl]carbamate is sourced from PubChem (CID 5205065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).