ethyl N,N-di(butan-2-yl)carbamate

C11H23NO2 — CID 5150721

IUPACethyl N,N-di(butan-2-yl)carbamate
SMILESCCOC(=O)N(C(C)CC)C(C)CC
InChIInChI=1S/C11H23NO2/c1-6-9(4)12(10(5)7-2)11(13)14-8-3/h9-10H,6-8H2,1-5H3
InChIKeyHJJNQJWBSZYAFH-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.04
Rot. Bonds5

About ethyl N,N-di(butan-2-yl)carbamate

ethyl N,N-di(butan-2-yl)carbamate (PubChem CID 5150721) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl N,N-di(butan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N,N-di(butan-2-yl)carbamate
PubChem CID5150721
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl N,N-di(butan-2-yl)carbamate
SMILESCCOC(=O)N(C(C)CC)C(C)CC
InChIInChI=1S/C11H23NO2/c1-6-9(4)12(10(5)7-2)11(13)14-8-3/h9-10H,6-8H2,1-5H3
InChIKeyHJJNQJWBSZYAFH-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl-N,N-di-n-butyl carbamate
CID 16674
3-(Dimethylamino)butyl dimethylcarbamate
CID 9836977
3-(dimethylamino)butyl N,N-dimethylcarbamate
CID 10465092
Carbamic acid, dipropyl-, ethyl ester
CID 23416
Ethyl diisopropylcarbamate
CID 30213
Ethyl 4-(butan-2-yl)piperazine-1-carboxylate
CID 115502
2-Methylpropyl diethylcarbamate
CID 13314072
Isobutylcarbamate, N,N-diisopropyl
CID 52921001
Carbamic acid, bis(1-methylethyl)-, methyl ester
CID 568417
Vinyl diisopropylcarbamate
CID 14711406
2-fluoroethyl N,N-dipropylcarbamate
CID 129671671
2,2,2-tribromoethyl N,N-di(propan-2-yl)carbamate
CID 86208200

Frequently Asked Questions

What is the IUPAC name of ethyl N,N-di(butan-2-yl)carbamate?
The IUPAC name of ethyl N,N-di(butan-2-yl)carbamate (CID 5150721) is ethyl N,N-di(butan-2-yl)carbamate.
What is the SMILES notation for ethyl N,N-di(butan-2-yl)carbamate?
The canonical SMILES for ethyl N,N-di(butan-2-yl)carbamate is CCOC(=O)N(C(C)CC)C(C)CC.
What is the InChIKey of ethyl N,N-di(butan-2-yl)carbamate?
The InChIKey is HJJNQJWBSZYAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-9(4)12(10(5)7-2)11(13)14-8-3/h9-10H,6-8H2,1-5H3.
What are the key properties of ethyl N,N-di(butan-2-yl)carbamate?
ethyl N,N-di(butan-2-yl)carbamate has a molecular weight of 201.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N,N-di(butan-2-yl)carbamate is sourced from PubChem (CID 5150721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).