ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate

C13H27NO4 — CID 63686784

IUPACethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate
SMILESCCCOCCOCCC(NCC)C(=O)OCC
InChIInChI=1S/C13H27NO4/c1-4-8-16-10-11-17-9-7-12(14-5-2)13(15)18-6-3/h12,14H,4-11H2,1-3H3
InChIKeyRHSISWVMHNPMEI-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.36
Rot. Bonds12

About ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate

ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate (PubChem CID 63686784) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate
PubChem CID63686784
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Nameethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate
SMILESCCCOCCOCCC(NCC)C(=O)OCC
InChIInChI=1S/C13H27NO4/c1-4-8-16-10-11-17-9-7-12(14-5-2)13(15)18-6-3/h12,14H,4-11H2,1-3H3
InChIKeyRHSISWVMHNPMEI-UHFFFAOYSA-N
XLogP1.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-4-(2-propoxyethoxy)butanoic acid
CID 63685674
2-(ethylamino)-4-propoxybutanoic acid
CID 63034950
ethyl 2-(ethylamino)-4-methoxybutanoate
CID 63041386
ethyl 2-(ethylamino)-4-(4,4,4-trifluorobutoxy)butanoate
CID 82787989
2-(ethylamino)-4-(2-methoxyethoxy)butanamide
CID 63041176
methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate
CID 63040990
N-ethyl-2-methyl-5-propoxypent-1-en-3-amine
CID 105163614
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
diethyl 2-(2-propoxyethyl)propanedioate
CID 106454926
2-(ethylamino)-4-pentoxybutanamide
CID 63034257
ethyl 4-(3,3-dimethylbutoxy)-2-(propylamino)butanoate
CID 66224989
ethyl 2-(ethylamino)-4-propylsulfanylbutanoate
CID 63035701

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate?
The IUPAC name of ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate (CID 63686784) is ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate?
The canonical SMILES for ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate is CCCOCCOCCC(NCC)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate?
The InChIKey is RHSISWVMHNPMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-4-8-16-10-11-17-9-7-12(14-5-2)13(15)18-6-3/h12,14H,4-11H2,1-3H3.
What are the key properties of ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate?
ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate has a molecular weight of 261.36 g/mol, XLogP of 1.36, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate is sourced from PubChem (CID 63686784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).