N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide

C18H31NO6 — CID 140562306

IUPACN-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCC1CCC2OCCOCCOCCOCCOC2C1
InChIInChI=1S/C18H31NO6/c1-2-18(20)19-14-15-3-4-16-17(13-15)25-12-10-23-8-6-21-5-7-22-9-11-24-16/h2,15-17H,1,3-14H2,(H,19,20)
InChIKeyVJPUTFVYQNWHOS-UHFFFAOYSA-N
MW357.45 g/mol
LogP0.92
Rot. Bonds3

About N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide

N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide (PubChem CID 140562306) has the molecular formula C18H31NO6 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide
PubChem CID140562306
Molecular FormulaC18H31NO6
Molecular Weight357.45 g/mol
Exact Mass357.22
IUPAC NameN-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCC1CCC2OCCOCCOCCOCCOC2C1
InChIInChI=1S/C18H31NO6/c1-2-18(20)19-14-15-3-4-16-17(13-15)25-12-10-23-8-6-21-5-7-22-9-11-24-16/h2,15-17H,1,3-14H2,(H,19,20)
InChIKeyVJPUTFVYQNWHOS-UHFFFAOYSA-N
XLogP0.92
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide with MolForge

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106124120
20-(chloromethyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosane
CID 140562311
4-[(prop-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 18757083
N-(oxolan-2-ylmethyl)prop-2-enamide
CID 15332973
N-(thiolan-3-ylmethyl)prop-2-enamide
CID 107295518
N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide
CID 127004862
N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
CID 124925910
N-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]prop-2-enamide
CID 136588924
2-(7-oxabicyclo[4.1.0]heptan-3-ylmethylamino)prop-2-enoic acid
CID 87626588
N-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide
CID 176702448
1-(oxan-4-ylmethyl)-3-prop-2-enylurea
CID 108912891
N-(morpholin-4-ylmethyl)prop-2-enamide
CID 22725837

Frequently Asked Questions

What is the IUPAC name of N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide?
The IUPAC name of N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide (CID 140562306) is N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide is C=CC(=O)NCC1CCC2OCCOCCOCCOCCOC2C1.
What is the InChIKey of N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide?
The InChIKey is VJPUTFVYQNWHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO6/c1-2-18(20)19-14-15-3-4-16-17(13-15)25-12-10-23-8-6-21-5-7-22-9-11-24-16/h2,15-17H,1,3-14H2,(H,19,20).
What are the key properties of N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide?
N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide has a molecular weight of 357.45 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadecan-17-ylmethyl)prop-2-enamide is sourced from PubChem (CID 140562306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).