ethyl N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate

C12H24N2O4 — CID 78869511

IUPACethyl N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)N(CC)CCO)C(C)C
InChIInChI=1S/C12H24N2O4/c1-5-14(7-8-15)11(16)10(9(3)4)13-12(17)18-6-2/h9-10,15H,5-8H2,1-4H3,(H,13,17)
InChIKeyQQFSMBQFUAREAD-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.60
Rot. Bonds7

About ethyl N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate

ethyl N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 78869511) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is ethyl N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID78869511
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nameethyl N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)N(CC)CCO)C(C)C
InChIInChI=1S/C12H24N2O4/c1-5-14(7-8-15)11(16)10(9(3)4)13-12(17)18-6-2/h9-10,15H,5-8H2,1-4H3,(H,13,17)
InChIKeyQQFSMBQFUAREAD-UHFFFAOYSA-N
XLogP0.60
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 78796479
N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 78796123
ethyl N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]carbamate
CID 59090885
ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate
CID 90967587
N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 78796304
2-(carbamoylamino)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 60958324
2-chloro-N-[(2S)-1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 97191731
methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-ethylamino]propanoate
CID 54898842
2-acetamido-N,N-diethyl-3-methylbutanamide
CID 60635909
ethyl N-[(2S)-3-methyl-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 97029166
ethyl N-[(2R)-3-methyl-1-[[(2R)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 97029169
2-acetamido-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 60670670

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 78869511) is ethyl N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate is CCOC(=O)NC(C(=O)N(CC)CCO)C(C)C.
What is the InChIKey of ethyl N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is QQFSMBQFUAREAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-14(7-8-15)11(16)10(9(3)4)13-12(17)18-6-2/h9-10,15H,5-8H2,1-4H3,(H,13,17).
What are the key properties of ethyl N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
ethyl N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 260.33 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 78869511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).