N-[[(4R)-3-hydroxy-2,4-dimethoxypentoxy]methyl]prop-2-enamide

C11H21NO5 — CID 166931985

IUPACN-[[(4R)-3-hydroxy-2,4-dimethoxypentoxy]methyl]prop-2-enamide
SMILESC=CC(=O)NCOCC(OC)C(O)[C@@H](C)OC
InChIInChI=1S/C11H21NO5/c1-5-10(13)12-7-17-6-9(16-4)11(14)8(2)15-3/h5,8-9,11,14H,1,6-7H2,2-4H3,(H,12,13)/t8-,9?,11?/m1/s1
InChIKeyFOLYKGWLSQOQHQ-FKTRJACZSA-N
MW247.29 g/mol
LogP-0.33
Rot. Bonds9

About N-[[(4R)-3-hydroxy-2,4-dimethoxypentoxy]methyl]prop-2-enamide

N-[[(4R)-3-hydroxy-2,4-dimethoxypentoxy]methyl]prop-2-enamide (PubChem CID 166931985) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[[(4R)-3-hydroxy-2,4-dimethoxypentoxy]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[(4R)-3-hydroxy-2,4-dimethoxypentoxy]methyl]prop-2-enamide
PubChem CID166931985
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC NameN-[[(4R)-3-hydroxy-2,4-dimethoxypentoxy]methyl]prop-2-enamide
SMILESC=CC(=O)NCOCC(OC)C(O)[C@@H](C)OC
InChIInChI=1S/C11H21NO5/c1-5-10(13)12-7-17-6-9(16-4)11(14)8(2)15-3/h5,8-9,11,14H,1,6-7H2,2-4H3,(H,12,13)/t8-,9?,11?/m1/s1
InChIKeyFOLYKGWLSQOQHQ-FKTRJACZSA-N
XLogP-0.33
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[[(4R)-3-hydroxy-2,4-dimethoxypentoxy]methyl]prop-2-enamide 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-(2,3,4-trihydroxybutoxymethyl)prop-2-enamide
CID 88892230
N-(ethoxymethyl)prop-2-enamide;N-propan-2-ylprop-2-enamide
CID 87880276
N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
CID 129044196
N-methoxyprop-2-enamide;2-methyl-N-(2-methylpropoxymethyl)prop-2-enamide
CID 174821767
1,1-dimethoxyethane;N-(2-oxoethyl)prop-2-enamide
CID 87223904
N-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
CID 88530636
N-[2,3-dimethyl-4-(2,3,4,5,6-pentahydroxyhexoxy)butyl]prop-2-enamide
CID 118421966
N-[2-[2-[2-(prop-2-enoylamino)ethoxy]propoxy]ethyl]prop-2-enamide
CID 58412122
2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87097476
dimethoxy-methyl-[(prop-2-enoylamino)methoxy]azanium chloride
CID 174453609
N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide
CID 118137430
N-[[4-[2,2-bis[[4-hydroxy-3-[(prop-2-enoylamino)methoxy]butoxy]methyl]butoxy]-2-hydroxybutoxy]methyl]prop-2-enamide
CID 58444873

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-3-hydroxy-2,4-dimethoxypentoxy]methyl]prop-2-enamide?
The IUPAC name of N-[[(4R)-3-hydroxy-2,4-dimethoxypentoxy]methyl]prop-2-enamide (CID 166931985) is N-[[(4R)-3-hydroxy-2,4-dimethoxypentoxy]methyl]prop-2-enamide.
What is the SMILES notation for N-[[(4R)-3-hydroxy-2,4-dimethoxypentoxy]methyl]prop-2-enamide?
The canonical SMILES for N-[[(4R)-3-hydroxy-2,4-dimethoxypentoxy]methyl]prop-2-enamide is C=CC(=O)NCOCC(OC)C(O)[C@@H](C)OC.
What is the InChIKey of N-[[(4R)-3-hydroxy-2,4-dimethoxypentoxy]methyl]prop-2-enamide?
The InChIKey is FOLYKGWLSQOQHQ-FKTRJACZSA-N. The full InChI is InChI=1S/C11H21NO5/c1-5-10(13)12-7-17-6-9(16-4)11(14)8(2)15-3/h5,8-9,11,14H,1,6-7H2,2-4H3,(H,12,13)/t8-,9?,11?/m1/s1.
What are the key properties of N-[[(4R)-3-hydroxy-2,4-dimethoxypentoxy]methyl]prop-2-enamide?
N-[[(4R)-3-hydroxy-2,4-dimethoxypentoxy]methyl]prop-2-enamide has a molecular weight of 247.29 g/mol, XLogP of -0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-3-hydroxy-2,4-dimethoxypentoxy]methyl]prop-2-enamide is sourced from PubChem (CID 166931985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).