ethyl N,N-dipropylcarbamate

C9H19NO2 — CID 23416

IUPACethyl N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OCC
InChIInChI=1S/C9H19NO2/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3
InChIKeyBPTCHOSQAFYVPE-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.26
Rot. Bonds5

About ethyl N,N-dipropylcarbamate

ethyl N,N-dipropylcarbamate (PubChem CID 23416) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethyl N,N-dipropylcarbamate.

Molecular Properties

Compound Nameethyl N,N-dipropylcarbamate
PubChem CID23416
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethyl N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OCC
InChIInChI=1S/C9H19NO2/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3
InChIKeyBPTCHOSQAFYVPE-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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 diethylcarbamate
CID 19083
Ethyl-N,N-di-n-butyl carbamate
CID 16674
Ethyl diisopropylcarbamate
CID 30213
methyl N-(3-methoxypropyl)-N-methylcarbamate
CID 57786570
Dibutoline
CID 10764
Butyl pyrrolidine-1-carboxylate
CID 232668
Isobutylcarbamate, N,N-diisopropyl
CID 52921001
Carbamic acid, ethylmethyl-, ethyl ester
CID 20062878
Ethyl 4-propylpiperazine-1-carboxylate
CID 116099
Pyrrolidine, N-isoBOC
CID 259455
2-fluoroethyl N,N-dipropylcarbamate
CID 129671671
2-diethylaminoethyl N-[3-(dimethylamino)propyl]-N-methyl-carbamate
CID 515611

Frequently Asked Questions

What is the IUPAC name of ethyl N,N-dipropylcarbamate?
The IUPAC name of ethyl N,N-dipropylcarbamate (CID 23416) is ethyl N,N-dipropylcarbamate.
What is the SMILES notation for ethyl N,N-dipropylcarbamate?
The canonical SMILES for ethyl N,N-dipropylcarbamate is CCCN(CCC)C(=O)OCC.
What is the InChIKey of ethyl N,N-dipropylcarbamate?
The InChIKey is BPTCHOSQAFYVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3.
What are the key properties of ethyl N,N-dipropylcarbamate?
ethyl N,N-dipropylcarbamate has a molecular weight of 173.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-dipropylcarbamate is sourced from PubChem (CID 23416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).