propyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate

C13H26N2O4 — CID 168971437

IUPACpropyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
SMILESCCCOC(=O)N(C)[C@@H](C(=O)N(C)CCO)C(C)C
InChIInChI=1S/C13H26N2O4/c1-6-9-19-13(18)15(5)11(10(2)3)12(17)14(4)7-8-16/h10-11,16H,6-9H2,1-5H3/t11-/m1/s1
InChIKeyLLJBBQPVFHZSHB-LLVKDONJSA-N
MW274.36 g/mol
LogP0.94
Rot. Bonds7

About propyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate

propyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate (PubChem CID 168971437) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is propyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Namepropyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
PubChem CID168971437
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Namepropyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
SMILESCCCOC(=O)N(C)[C@@H](C(=O)N(C)CCO)C(C)C
InChIInChI=1S/C13H26N2O4/c1-6-9-19-13(18)15(5)11(10(2)3)12(17)14(4)7-8-16/h10-11,16H,6-9H2,1-5H3/t11-/m1/s1
InChIKeyLLJBBQPVFHZSHB-LLVKDONJSA-N
XLogP0.94
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

heptyl 3-methyl-2-[methyl(propoxycarbonyl)amino]butanoate
CID 91726060
4-methylpentyl 3-methyl-2-[methyl(propoxycarbonyl)amino]butanoate
CID 91726054
propyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91718896
pentyl 2-[butoxycarbonyl(methyl)amino]-3-methylbutanoate
CID 91729931
2-amino-N-(2-hydroxyethyl)-N-methylpropanamide
CID 56831806
ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91718895
butyl 2-[hexoxycarbonyl(methyl)amino]-3-methylbutanoate
CID 91734822
propyl N-[(3S)-1-amino-5-methyl-2-oxohexan-3-yl]-N-methylcarbamate
CID 167226880
tetradecyl 2-[butoxycarbonyl(methyl)amino]-3-methylbutanoate
CID 91729955
propyl N-[(2R)-4-(2-hydroxyethylamino)-3-oxobutan-2-yl]-N-methylcarbamate
CID 168971485
heptyl 2-[[2-[ethoxycarbonyl(methyl)amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoate
CID 91723049
tetradecyl 2-[2-methoxyethoxycarbonyl(methyl)amino]-3-methylbutanoate
CID 91730234

Frequently Asked Questions

What is the IUPAC name of propyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate?
The IUPAC name of propyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate (CID 168971437) is propyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate.
What is the SMILES notation for propyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate?
The canonical SMILES for propyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate is CCCOC(=O)N(C)[C@@H](C(=O)N(C)CCO)C(C)C.
What is the InChIKey of propyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate?
The InChIKey is LLJBBQPVFHZSHB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-6-9-19-13(18)15(5)11(10(2)3)12(17)14(4)7-8-16/h10-11,16H,6-9H2,1-5H3/t11-/m1/s1.
What are the key properties of propyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate?
propyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate has a molecular weight of 274.36 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 168971437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).