ethyl N-ethyl-N-propan-2-ylcarbamate

C8H17NO2 — CID 61216466

IUPACethyl N-ethyl-N-propan-2-ylcarbamate
SMILESCCOC(=O)N(CC)C(C)C
InChIInChI=1S/C8H17NO2/c1-5-9(7(3)4)8(10)11-6-2/h7H,5-6H2,1-4H3
InChIKeyIEYJTEMOBSSRTK-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.87
Rot. Bonds3

About ethyl N-ethyl-N-propan-2-ylcarbamate

ethyl N-ethyl-N-propan-2-ylcarbamate (PubChem CID 61216466) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethyl N-ethyl-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nameethyl N-ethyl-N-propan-2-ylcarbamate
PubChem CID61216466
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethyl N-ethyl-N-propan-2-ylcarbamate
SMILESCCOC(=O)N(CC)C(C)C
InChIInChI=1S/C8H17NO2/c1-5-9(7(3)4)8(10)11-6-2/h7H,5-6H2,1-4H3
InChIKeyIEYJTEMOBSSRTK-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 (2S)-2-[ethoxycarbonyl(ethyl)amino]-4-methylpentanoate
CID 155570536
1-chloroethyl N-ethyl-N-propan-2-ylcarbamate
CID 86696296
ethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate
CID 97334966
ethyl 2-[ethyl(propan-2-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116537733
ethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate
CID 134521270
ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate
CID 79721032
(2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide
CID 61145665
N,N-diethylethanamine;ethyl methyl carbonate
CID 175445497
ethyl 2-[ethoxycarbonyl(propan-2-yl)amino]propanoate
CID 175194791
ethyl 3-[ethoxycarbonyl-(3-ethoxy-3-oxopropyl)amino]butanoate
CID 15696583
N-ethyl-2-methyl-N-propan-2-ylpropanamide
CID 157175110
2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid
CID 134524402

Frequently Asked Questions

What is the IUPAC name of ethyl N-ethyl-N-propan-2-ylcarbamate?
The IUPAC name of ethyl N-ethyl-N-propan-2-ylcarbamate (CID 61216466) is ethyl N-ethyl-N-propan-2-ylcarbamate.
What is the SMILES notation for ethyl N-ethyl-N-propan-2-ylcarbamate?
The canonical SMILES for ethyl N-ethyl-N-propan-2-ylcarbamate is CCOC(=O)N(CC)C(C)C.
What is the InChIKey of ethyl N-ethyl-N-propan-2-ylcarbamate?
The InChIKey is IEYJTEMOBSSRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5-9(7(3)4)8(10)11-6-2/h7H,5-6H2,1-4H3.
What are the key properties of ethyl N-ethyl-N-propan-2-ylcarbamate?
ethyl N-ethyl-N-propan-2-ylcarbamate 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 ethyl N-ethyl-N-propan-2-ylcarbamate is sourced from PubChem (CID 61216466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).