2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide

C14H30N2O4 — CID 61477156

IUPAC2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide
SMILESCCCCOCCOCC(O)CNC(C)C(=O)NCC
InChIInChI=1S/C14H30N2O4/c1-4-6-7-19-8-9-20-11-13(17)10-16-12(3)14(18)15-5-2/h12-13,16-17H,4-11H2,1-3H3,(H,15,18)
InChIKeyFSJMUBMLSCROSA-UHFFFAOYSA-N
MW290.40 g/mol
LogP0.29
Rot. Bonds13

About 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide

2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide (PubChem CID 61477156) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide
PubChem CID61477156
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide
SMILESCCCCOCCOCC(O)CNC(C)C(=O)NCC
InChIInChI=1S/C14H30N2O4/c1-4-6-7-19-8-9-20-11-13(17)10-16-12(3)14(18)15-5-2/h12-13,16-17H,4-11H2,1-3H3,(H,15,18)
InChIKeyFSJMUBMLSCROSA-UHFFFAOYSA-N
XLogP0.29
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol
CID 63838472
(2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid
CID 101333987
2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103913986
2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide
CID 107263156
2-[(2-hydroxy-3-octoxypropyl)amino]propanamide
CID 54938860
N-(3-butoxy-2-hydroxypropyl)acetamide
CID 45119319
1-butoxy-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 107262659
1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 107262665
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
N-ethyl-2-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]propanamide
CID 61477069
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-(1-hydroxyethylamino)-3-octadecoxypropan-2-ol
CID 137434475

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide (CID 61477156) is 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide is CCCCOCCOCC(O)CNC(C)C(=O)NCC.
What is the InChIKey of 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide?
The InChIKey is FSJMUBMLSCROSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-4-6-7-19-8-9-20-11-13(17)10-16-12(3)14(18)15-5-2/h12-13,16-17H,4-11H2,1-3H3,(H,15,18).
What are the key properties of 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide?
2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide has a molecular weight of 290.40 g/mol, XLogP of 0.29, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 61477156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).