2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate

C16H32N2O4 — CID 91749295

IUPAC2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
SMILESCC(C)COC(=O)NCCCCCCNC(=O)OCC(C)C
InChIInChI=1S/C16H32N2O4/c1-13(2)11-21-15(19)17-9-7-5-6-8-10-18-16(20)22-12-14(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyTWGHOHVZYIUFEM-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.31
Rot. Bonds11

About 2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate

2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate (PubChem CID 91749295) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
PubChem CID91749295
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Name2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
SMILESCC(C)COC(=O)NCCCCCCNC(=O)OCC(C)C
InChIInChI=1S/C16H32N2O4/c1-13(2)11-21-15(19)17-9-7-5-6-8-10-18-16(20)22-12-14(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyTWGHOHVZYIUFEM-UHFFFAOYSA-N
XLogP3.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.31
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

2-methylpropyl N-[3-(methylamino)propyl]carbamate
CID 43602360
2-methylpropyl N-[2-(methylamino)ethyl]carbamate
CID 62658921
undecyl 6-(2-methylpropoxycarbonylamino)hexanoate
CID 91740915
2-methylpropyl 6-(butoxycarbonylamino)hexanoate
CID 91734843
undecyl 4-(2-methylpropoxycarbonylamino)butanoate
CID 91718537
2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate
CID 63870091
trifluoro-[2-(2-methylpropoxycarbonylamino)ethyl]boranuide
CID 142378146
2-iodopropyl N-butylcarbamate
CID 175153431
2-methylpropyl N-(2-hydroxypropyl)carbamate
CID 43427881
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
2-methylpropyl N-[2-(4-oxopentanoylamino)ethyl]carbamate
CID 108574950
[5-methyl-6-(tetradecylcarbamoyloxy)hexyl] N-tetradecylcarbamate
CID 58283700

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate?
The IUPAC name of 2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate (CID 91749295) is 2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate is CC(C)COC(=O)NCCCCCCNC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate?
The InChIKey is TWGHOHVZYIUFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-13(2)11-21-15(19)17-9-7-5-6-8-10-18-16(20)22-12-14(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate?
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate has a molecular weight of 316.44 g/mol, XLogP of 3.31, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate is sourced from PubChem (CID 91749295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).