propan-2-yl N-ethyl-N-propylcarbamate

C9H19NO2 — CID 116654150

IUPACpropan-2-yl N-ethyl-N-propylcarbamate
SMILESCCCN(CC)C(=O)OC(C)C
InChIInChI=1S/C9H19NO2/c1-5-7-10(6-2)9(11)12-8(3)4/h8H,5-7H2,1-4H3
InChIKeyXKLWOASNHBRAML-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.26
Rot. Bonds4

About propan-2-yl N-ethyl-N-propylcarbamate

propan-2-yl N-ethyl-N-propylcarbamate (PubChem CID 116654150) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is propan-2-yl N-ethyl-N-propylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-ethyl-N-propylcarbamate
PubChem CID116654150
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namepropan-2-yl N-ethyl-N-propylcarbamate
SMILESCCCN(CC)C(=O)OC(C)C
InChIInChI=1S/C9H19NO2/c1-5-7-10(6-2)9(11)12-8(3)4/h8H,5-7H2,1-4H3
InChIKeyXKLWOASNHBRAML-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.26
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
Ethyl diisopropylcarbamate
CID 30213
2-Methylpropyl diethylcarbamate
CID 13314072
1-Piperidinecarboxylic acid, isopropyl ester
CID 239243
2-fluoroethyl N,N-dipropylcarbamate
CID 129671671
Propan-2-yl diethylcarbamate
CID 231820
Carbamic acid, dihexyl-, ethyl ester
CID 4231384
Butyl diethylcarbamate
CID 10241277
Carbamic acid, dibutyl-, butyl ester
CID 11775995
propan-2-yl N,N-dibutylcarbamate
CID 13751145

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-ethyl-N-propylcarbamate?
The IUPAC name of propan-2-yl N-ethyl-N-propylcarbamate (CID 116654150) is propan-2-yl N-ethyl-N-propylcarbamate.
What is the SMILES notation for propan-2-yl N-ethyl-N-propylcarbamate?
The canonical SMILES for propan-2-yl N-ethyl-N-propylcarbamate is CCCN(CC)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-ethyl-N-propylcarbamate?
The InChIKey is XKLWOASNHBRAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-7-10(6-2)9(11)12-8(3)4/h8H,5-7H2,1-4H3.
What are the key properties of propan-2-yl N-ethyl-N-propylcarbamate?
propan-2-yl N-ethyl-N-propylcarbamate has a molecular weight of 173.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-ethyl-N-propylcarbamate is sourced from PubChem (CID 116654150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).