ethane;3-(4-methoxybutoxy)-N-[2-(methylamino)ethyl]propanamide

C19H48N2O3 — CID 153398683

IUPACethane;3-(4-methoxybutoxy)-N-[2-(methylamino)ethyl]propanamide
SMILESCC.CC.CC.CC.CNCCNC(=O)CCOCCCCOC
InChIInChI=1S/C11H24N2O3.4C2H6/c1-12-6-7-13-11(14)5-10-16-9-4-3-8-15-2;4*1-2/h12H,3-10H2,1-2H3,(H,13,14);4*1-2H3
InChIKeyMYJZHCVXHPWUEZ-UHFFFAOYSA-N
MW352.60 g/mol
LogP4.26
Rot. Bonds11

About ethane;3-(4-methoxybutoxy)-N-[2-(methylamino)ethyl]propanamide

ethane;3-(4-methoxybutoxy)-N-[2-(methylamino)ethyl]propanamide (PubChem CID 153398683) has the molecular formula C19H48N2O3 and a molecular weight of 352.60 g/mol. Its IUPAC name is ethane;3-(4-methoxybutoxy)-N-[2-(methylamino)ethyl]propanamide.

Molecular Properties

Compound Nameethane;3-(4-methoxybutoxy)-N-[2-(methylamino)ethyl]propanamide
PubChem CID153398683
Molecular FormulaC19H48N2O3
Molecular Weight352.60 g/mol
Exact Mass352.37
IUPAC Nameethane;3-(4-methoxybutoxy)-N-[2-(methylamino)ethyl]propanamide
SMILESCC.CC.CC.CC.CNCCNC(=O)CCOCCCCOC
InChIInChI=1S/C11H24N2O3.4C2H6/c1-12-6-7-13-11(14)5-10-16-9-4-3-8-15-2;4*1-2/h12H,3-10H2,1-2H3,(H,13,14);4*1-2H3
InChIKeyMYJZHCVXHPWUEZ-UHFFFAOYSA-N
XLogP4.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.60
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-methoxyacetyl)amino]ethyl]-3-(2-methoxyethoxy)propanamide
CID 59805161
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide
CID 101361634
ethane;2-methoxy-N-[3-[4-(methylamino)butoxy]propyl]acetamide
CID 176551860
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)propanamide
CID 119508820
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
N-(2-methoxyethyl)-2-[2-[2-[2-(methylamino)ethylcarbamoylamino]ethoxy]ethoxy]acetamide
CID 123372853
ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen
CID 142390095
9-methoxy-N-[2-[2-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]nonanamide
CID 155405230
2-[2-(4-methoxybutoxy)ethoxy]-N-methylethanamine
CID 135175798

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-methoxybutoxy)-N-[2-(methylamino)ethyl]propanamide?
The IUPAC name of ethane;3-(4-methoxybutoxy)-N-[2-(methylamino)ethyl]propanamide (CID 153398683) is ethane;3-(4-methoxybutoxy)-N-[2-(methylamino)ethyl]propanamide.
What is the SMILES notation for ethane;3-(4-methoxybutoxy)-N-[2-(methylamino)ethyl]propanamide?
The canonical SMILES for ethane;3-(4-methoxybutoxy)-N-[2-(methylamino)ethyl]propanamide is CC.CC.CC.CC.CNCCNC(=O)CCOCCCCOC.
What is the InChIKey of ethane;3-(4-methoxybutoxy)-N-[2-(methylamino)ethyl]propanamide?
The InChIKey is MYJZHCVXHPWUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3.4C2H6/c1-12-6-7-13-11(14)5-10-16-9-4-3-8-15-2;4*1-2/h12H,3-10H2,1-2H3,(H,13,14);4*1-2H3.
What are the key properties of ethane;3-(4-methoxybutoxy)-N-[2-(methylamino)ethyl]propanamide?
ethane;3-(4-methoxybutoxy)-N-[2-(methylamino)ethyl]propanamide has a molecular weight of 352.60 g/mol, XLogP of 4.26, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-methoxybutoxy)-N-[2-(methylamino)ethyl]propanamide is sourced from PubChem (CID 153398683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).