propan-2-yl N-methyl-N-propylcarbamate

C8H17NO2 — CID 58662218

IUPACpropan-2-yl N-methyl-N-propylcarbamate
SMILESCCCN(C)C(=O)OC(C)C
InChIInChI=1S/C8H17NO2/c1-5-6-9(4)8(10)11-7(2)3/h7H,5-6H2,1-4H3
InChIKeyWKCXBEQAMQLKGS-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.87
Rot. Bonds3

About propan-2-yl N-methyl-N-propylcarbamate

propan-2-yl N-methyl-N-propylcarbamate (PubChem CID 58662218) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is propan-2-yl N-methyl-N-propylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-methyl-N-propylcarbamate
PubChem CID58662218
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namepropan-2-yl N-methyl-N-propylcarbamate
SMILESCCCN(C)C(=O)OC(C)C
InChIInChI=1S/C8H17NO2/c1-5-6-9(4)8(10)11-7(2)3/h7H,5-6H2,1-4H3
InChIKeyWKCXBEQAMQLKGS-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl-N,N-di-n-butyl carbamate
CID 16674
Isopropyl 1-pyrrolidinecarboxylate
CID 79230
Carbamic acid, dipropyl-, ethyl ester
CID 23416
2-fluoroethyl N,N-dipropylcarbamate
CID 129671671
Propan-2-yl diethylcarbamate
CID 231820
Butyl diethylcarbamate
CID 10241277
Carbamic acid, dibutyl-, butyl ester
CID 11775995
propan-2-yl N,N-dibutylcarbamate
CID 13751145
tert-butyl N-methyl-N-propylcarbamate
CID 14271612
N-butylethylurethane
CID 21523735
Isopropyl dipropylcarbamate
CID 45119301
butyl N-ethyl-N-methylcarbamate
CID 57290167

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-methyl-N-propylcarbamate?
The IUPAC name of propan-2-yl N-methyl-N-propylcarbamate (CID 58662218) is propan-2-yl N-methyl-N-propylcarbamate.
What is the SMILES notation for propan-2-yl N-methyl-N-propylcarbamate?
The canonical SMILES for propan-2-yl N-methyl-N-propylcarbamate is CCCN(C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-methyl-N-propylcarbamate?
The InChIKey is WKCXBEQAMQLKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-6-9(4)8(10)11-7(2)3/h7H,5-6H2,1-4H3.
What are the key properties of propan-2-yl N-methyl-N-propylcarbamate?
propan-2-yl N-methyl-N-propylcarbamate has a molecular weight of 159.23 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-methyl-N-propylcarbamate is sourced from PubChem (CID 58662218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).