propyl N-(2-methylpropyl)carbamate

C8H17NO2 — CID 91192078

IUPACpropyl N-(2-methylpropyl)carbamate
SMILESCCCOC(=O)NCC(C)C
InChIInChI=1S/C8H17NO2/c1-4-5-11-8(10)9-6-7(2)3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyNRZQQPPFCBDGLE-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.78
Rot. Bonds4

About propyl N-(2-methylpropyl)carbamate

propyl N-(2-methylpropyl)carbamate (PubChem CID 91192078) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is propyl N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Namepropyl N-(2-methylpropyl)carbamate
PubChem CID91192078
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namepropyl N-(2-methylpropyl)carbamate
SMILESCCCOC(=O)NCC(C)C
InChIInChI=1S/C8H17NO2/c1-4-5-11-8(10)9-6-7(2)3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyNRZQQPPFCBDGLE-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propyl N-(2-methylpropyl)carbamate?
The IUPAC name of propyl N-(2-methylpropyl)carbamate (CID 91192078) is propyl N-(2-methylpropyl)carbamate.
What is the SMILES notation for propyl N-(2-methylpropyl)carbamate?
The canonical SMILES for propyl N-(2-methylpropyl)carbamate is CCCOC(=O)NCC(C)C.
What is the InChIKey of propyl N-(2-methylpropyl)carbamate?
The InChIKey is NRZQQPPFCBDGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-5-11-8(10)9-6-7(2)3/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of propyl N-(2-methylpropyl)carbamate?
propyl N-(2-methylpropyl)carbamate has a molecular weight of 159.23 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(2-methylpropyl)carbamate is sourced from PubChem (CID 91192078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).