ethyl N-[1-[3-hydroxypropyl(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate

C11H22N2O4 — CID 168971350

IUPACethyl N-[1-[3-hydroxypropyl(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCCOC(=O)N(C)C(C)C(=O)N(C)CCCO
InChIInChI=1S/C11H22N2O4/c1-5-17-11(16)13(4)9(2)10(15)12(3)7-6-8-14/h9,14H,5-8H2,1-4H3
InChIKeyNCMJQVOSXRPXJP-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.30
Rot. Bonds6

About ethyl N-[1-[3-hydroxypropyl(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate

ethyl N-[1-[3-hydroxypropyl(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate (PubChem CID 168971350) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl N-[1-[3-hydroxypropyl(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[1-[3-hydroxypropyl(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate
PubChem CID168971350
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Nameethyl N-[1-[3-hydroxypropyl(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate
SMILESCCOC(=O)N(C)C(C)C(=O)N(C)CCCO
InChIInChI=1S/C11H22N2O4/c1-5-17-11(16)13(4)9(2)10(15)12(3)7-6-8-14/h9,14H,5-8H2,1-4H3
InChIKeyNCMJQVOSXRPXJP-UHFFFAOYSA-N
XLogP0.30
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91718895
ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486
(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199234
3-[ethoxycarbonyl(methyl)amino]-2-methylbutanoic acid
CID 175073944
ethyl N-(4-fluoropentyl)-N-methylcarbamate
CID 142292737
ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate
CID 103768211
methyl N-(3-hydroxypropyl)-N-methylcarbamate
CID 119098587
propyl N-[(2R)-1-[2-hydroxyethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
CID 168971437
ethyl (2R)-2-[3-hydroxypropanoyl(methyl)amino]propanoate
CID 168971565
3-[ethoxycarbonyl(methyl)amino]butanoic acid
CID 175076556
ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate
CID 170571033
ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
CID 62012804

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[3-hydroxypropyl(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate?
The IUPAC name of ethyl N-[1-[3-hydroxypropyl(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate (CID 168971350) is ethyl N-[1-[3-hydroxypropyl(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[1-[3-hydroxypropyl(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[1-[3-hydroxypropyl(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate is CCOC(=O)N(C)C(C)C(=O)N(C)CCCO.
What is the InChIKey of ethyl N-[1-[3-hydroxypropyl(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate?
The InChIKey is NCMJQVOSXRPXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-5-17-11(16)13(4)9(2)10(15)12(3)7-6-8-14/h9,14H,5-8H2,1-4H3.
What are the key properties of ethyl N-[1-[3-hydroxypropyl(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate?
ethyl N-[1-[3-hydroxypropyl(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate has a molecular weight of 246.31 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[3-hydroxypropyl(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 168971350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).