methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate

C14H28N2O3 — CID 103868418

IUPACmethyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate
SMILESCCCCC(NCCC(=O)N(CC)CC)C(=O)OC
InChIInChI=1S/C14H28N2O3/c1-5-8-9-12(14(18)19-4)15-11-10-13(17)16(6-2)7-3/h12,15H,5-11H2,1-4H3
InChIKeyINBXTSLSQBCBQN-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.57
Rot. Bonds10

About methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate

methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate (PubChem CID 103868418) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate
PubChem CID103868418
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate
SMILESCCCCC(NCCC(=O)N(CC)CC)C(=O)OC
InChIInChI=1S/C14H28N2O3/c1-5-8-9-12(14(18)19-4)15-11-10-13(17)16(6-2)7-3/h12,15H,5-11H2,1-4H3
InChIKeyINBXTSLSQBCBQN-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-amino-4-oxobutyl)amino]hexanoate
CID 103868400
N,N-diethyl-3-(hexan-2-ylamino)propanamide
CID 60926870
methyl 2-[[(E)-pent-3-enyl]amino]hexanoate
CID 103265585
methyl 2-(propylamino)octanoate
CID 60795997
methyl 2-(3,3-dimethylbutylamino)hexanoate
CID 102673049
methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate
CID 103248818
methyl 2-[2-[cyclopropyl(ethyl)amino]ethylamino]hexanoate
CID 114133037
4-(butylamino)-5-methoxy-5-oxopentanoic acid
CID 174549322
methyl 2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]hexanoate
CID 103868364
methyl 2-(4-propan-2-yloxybutylamino)hexanoate
CID 114136317
methyl 2-[2-(2-methylpropoxy)ethylamino]hexanoate
CID 103267598
methyl 2-(3-phenylpropylamino)hexanoate
CID 113341951

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate?
The IUPAC name of methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate (CID 103868418) is methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate.
What is the SMILES notation for methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate?
The canonical SMILES for methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate is CCCCC(NCCC(=O)N(CC)CC)C(=O)OC.
What is the InChIKey of methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate?
The InChIKey is INBXTSLSQBCBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-8-9-12(14(18)19-4)15-11-10-13(17)16(6-2)7-3/h12,15H,5-11H2,1-4H3.
What are the key properties of methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate?
methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate has a molecular weight of 272.39 g/mol, XLogP of 1.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate is sourced from PubChem (CID 103868418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).