N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide

C11H19NO3 — CID 18188386

IUPACN-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCOCC1CO1
InChIInChI=1S/C11H19NO3/c1-2-11(13)12-6-4-3-5-7-14-8-10-9-15-10/h2,10H,1,3-9H2,(H,12,13)
InChIKeyCDJQLDOSFSALHP-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.87
Rot. Bonds9

About N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide

N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide (PubChem CID 18188386) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide
PubChem CID18188386
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC NameN-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide
SMILESC=CC(=O)NCCCCCOCC1CO1
InChIInChI=1S/C11H19NO3/c1-2-11(13)12-6-4-3-5-7-14-8-10-9-15-10/h2,10H,1,3-9H2,(H,12,13)
InChIKeyCDJQLDOSFSALHP-UHFFFAOYSA-N
XLogP0.87
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide
CID 88622123
2-methyl-N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide
CID 140901902
6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate
CID 87786721
N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11522493
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
2-(4-prop-2-enoxybutoxymethyl)oxirane
CID 86229247
[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)hexoxy]propyl] prop-2-enoate
CID 154601558
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668

Frequently Asked Questions

What is the IUPAC name of N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide?
The IUPAC name of N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide (CID 18188386) is N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide.
What is the SMILES notation for N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide?
The canonical SMILES for N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide is C=CC(=O)NCCCCCOCC1CO1.
What is the InChIKey of N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide?
The InChIKey is CDJQLDOSFSALHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-11(13)12-6-4-3-5-7-14-8-10-9-15-10/h2,10H,1,3-9H2,(H,12,13).
What are the key properties of N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide?
N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide has a molecular weight of 213.28 g/mol, XLogP of 0.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide is sourced from PubChem (CID 18188386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).