propyl N-(4-propan-2-yloxybutyl)carbamate

C11H23NO3 — CID 149467433

IUPACpropyl N-(4-propan-2-yloxybutyl)carbamate
SMILESCCCOC(=O)NCCCCOC(C)C
InChIInChI=1S/C11H23NO3/c1-4-8-15-11(13)12-7-5-6-9-14-10(2)3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyZARTYJYFGUTUFE-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.33
Rot. Bonds8

About propyl N-(4-propan-2-yloxybutyl)carbamate

propyl N-(4-propan-2-yloxybutyl)carbamate (PubChem CID 149467433) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is propyl N-(4-propan-2-yloxybutyl)carbamate.

Molecular Properties

Compound Namepropyl N-(4-propan-2-yloxybutyl)carbamate
PubChem CID149467433
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Namepropyl N-(4-propan-2-yloxybutyl)carbamate
SMILESCCCOC(=O)NCCCCOC(C)C
InChIInChI=1S/C11H23NO3/c1-4-8-15-11(13)12-7-5-6-9-14-10(2)3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyZARTYJYFGUTUFE-UHFFFAOYSA-N
XLogP2.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
CID 114137059
(2R)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011533
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
3-(propoxycarbonylamino)propylcarbamic acid
CID 139823184
azane;octyl N-octylcarbamate
CID 175531380
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate
CID 60705940

Frequently Asked Questions

What is the IUPAC name of propyl N-(4-propan-2-yloxybutyl)carbamate?
The IUPAC name of propyl N-(4-propan-2-yloxybutyl)carbamate (CID 149467433) is propyl N-(4-propan-2-yloxybutyl)carbamate.
What is the SMILES notation for propyl N-(4-propan-2-yloxybutyl)carbamate?
The canonical SMILES for propyl N-(4-propan-2-yloxybutyl)carbamate is CCCOC(=O)NCCCCOC(C)C.
What is the InChIKey of propyl N-(4-propan-2-yloxybutyl)carbamate?
The InChIKey is ZARTYJYFGUTUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-8-15-11(13)12-7-5-6-9-14-10(2)3/h10H,4-9H2,1-3H3,(H,12,13).
What are the key properties of propyl N-(4-propan-2-yloxybutyl)carbamate?
propyl N-(4-propan-2-yloxybutyl)carbamate has a molecular weight of 217.31 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(4-propan-2-yloxybutyl)carbamate is sourced from PubChem (CID 149467433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).