N-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide

C10H22N2O3 — CID 106246679

IUPACN-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide
SMILESCCNC(=O)CCNCCC(O)COC
InChIInChI=1S/C10H22N2O3/c1-3-12-10(14)5-7-11-6-4-9(13)8-15-2/h9,11,13H,3-8H2,1-2H3,(H,12,14)
InChIKeyLGLYDKYHNQCKAY-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.50
Rot. Bonds9

About N-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide

N-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide (PubChem CID 106246679) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide
PubChem CID106246679
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC NameN-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide
SMILESCCNC(=O)CCNCCC(O)COC
InChIInChI=1S/C10H22N2O3/c1-3-12-10(14)5-7-11-6-4-9(13)8-15-2/h9,11,13H,3-8H2,1-2H3,(H,12,14)
InChIKeyLGLYDKYHNQCKAY-UHFFFAOYSA-N
XLogP-0.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide 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

N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 103877026
4-hydroxy-N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 106248553
N-(3-hydroxy-4-methoxybutyl)octanamide
CID 103877091
N-(3-hydroxy-4-methoxybutyl)dodecanamide
CID 103876970
4-(heptylamino)-1-methoxybutan-2-ol
CID 106245003
N-ethyl-3-(4-methoxybutan-2-ylamino)propanamide
CID 64603036
N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide
CID 106246865
2-cyclobutyl-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877418
3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
CID 143379058
N-(3-hydroxy-4-methoxybutyl)formamide
CID 106243326
N-(2-hydroxy-3-methoxypropyl)butanamide
CID 20700886
methyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate
CID 106246638

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide?
The IUPAC name of N-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide (CID 106246679) is N-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide.
What is the SMILES notation for N-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide?
The canonical SMILES for N-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide is CCNC(=O)CCNCCC(O)COC.
What is the InChIKey of N-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide?
The InChIKey is LGLYDKYHNQCKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-3-12-10(14)5-7-11-6-4-9(13)8-15-2/h9,11,13H,3-8H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide?
N-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide has a molecular weight of 218.30 g/mol, XLogP of -0.50, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide is sourced from PubChem (CID 106246679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).