N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide

C17H29NO6 — CID 58402357

IUPACN-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide
SMILESC=CC(=O)CCC(O)COCCCCOCC(O)CNC(=O)C=C
InChIInChI=1S/C17H29NO6/c1-3-14(19)7-8-15(20)12-23-9-5-6-10-24-13-16(21)11-18-17(22)4-2/h3-4,15-16,20-21H,1-2,5-13H2,(H,18,22)
InChIKeyAJQJQBPQOUDZCR-UHFFFAOYSA-N
MW343.42 g/mol
LogP0.36
Rot. Bonds16

About N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide

N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide (PubChem CID 58402357) has the molecular formula C17H29NO6 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide
PubChem CID58402357
Molecular FormulaC17H29NO6
Molecular Weight343.42 g/mol
Exact Mass343.20
IUPAC NameN-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide
SMILESC=CC(=O)CCC(O)COCCCCOCC(O)CNC(=O)C=C
InChIInChI=1S/C17H29NO6/c1-3-14(19)7-8-15(20)12-23-9-5-6-10-24-13-16(21)11-18-17(22)4-2/h3-4,15-16,20-21H,1-2,5-13H2,(H,18,22)
InChIKeyAJQJQBPQOUDZCR-UHFFFAOYSA-N
XLogP0.36
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]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-hydroxy-3-[3-(2-hydroxy-5-oxohept-6-enoxy)-2,2-bis[(2-hydroxy-5-oxohept-6-enoxy)methyl]propoxy]propyl]prop-2-enamide
CID 58444874
N-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
CID 88530636
N-[2-hydroxy-3-[2-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-2-[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]butoxy]propyl]prop-2-enamide
CID 58402367
N-[2,10-dihydroxy-6,6-bis[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]-11-(prop-2-enoylamino)undecyl]prop-2-enamide
CID 90321049
7-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-6-hydroxyhept-1-en-3-one;N-[3-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl]-N-methylprop-2-enamide
CID 160758382
N-[3-[4-[3-[butyl(dimethyl)silyl]pentan-3-yloxy-dimethylsilyl]-4-methylhexoxy]-2-hydroxypropyl]prop-2-enamide
CID 123542524
N-(3-butoxy-2-hydroxypropyl)acetamide
CID 45119319
6,13-dihydroxy-10-[(2-hydroxy-5-oxohept-6-enoxy)methyl]-16-methylideneoctadeca-1,17-dien-3-one
CID 139540546
N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11522493
N-(3-amino-2-hydroxypropyl)prop-2-enamide
CID 130759182
N-[3-[2-(5-oxohept-6-enoxymethyl)-3-[3-(prop-2-enoylamino)propoxy]-2-[3-(prop-2-enoylamino)propoxymethyl]propoxy]propyl]prop-2-enamide;N-[3-[(2S,3R,4R,5R)-6-(5-oxohept-6-enoxy)-2,3,4,5-tetrakis[3-(prop-2-enoylamino)propoxy]hexoxy]propyl]prop-2-enamide;N-[3-[(2R,3R,4R,5R)-6-(5-oxohept-6-enoxy)-2,3,4,5-tetrakis[3-(prop-2-enoylamino)propoxy]hexoxy]propyl]prop-2-enamide
CID 158869806
N-[2-[3-[2,3-bis[3-[2-(ethenylsulfonylamino)ethoxy]-2-hydroxypropoxy]propoxy]-2-hydroxypropoxy]ethyl]ethenesulfonamide;N-(2-hydroxyethyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one
CID 158210689

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide?
The IUPAC name of N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide (CID 58402357) is N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide.
What is the SMILES notation for N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide?
The canonical SMILES for N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide is C=CC(=O)CCC(O)COCCCCOCC(O)CNC(=O)C=C.
What is the InChIKey of N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide?
The InChIKey is AJQJQBPQOUDZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO6/c1-3-14(19)7-8-15(20)12-23-9-5-6-10-24-13-16(21)11-18-17(22)4-2/h3-4,15-16,20-21H,1-2,5-13H2,(H,18,22).
What are the key properties of N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide?
N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide has a molecular weight of 343.42 g/mol, XLogP of 0.36, 16 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[4-(2-hydroxy-5-oxohept-6-enoxy)butoxy]propyl]prop-2-enamide is sourced from PubChem (CID 58402357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).