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

C12H21NO3 — CID 140901902

IUPAC2-methyl-N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCOCC1CO1
InChIInChI=1S/C12H21NO3/c1-10(2)12(14)13-6-4-3-5-7-15-8-11-9-16-11/h11H,1,3-9H2,2H3,(H,13,14)
InChIKeyPVDDBXXIWAAUTK-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.26
Rot. Bonds9

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

2-methyl-N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide (PubChem CID 140901902) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-methyl-N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide
PubChem CID140901902
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-methyl-N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCOCC1CO1
InChIInChI=1S/C12H21NO3/c1-10(2)12(14)13-6-4-3-5-7-15-8-11-9-16-11/h11H,1,3-9H2,2H3,(H,13,14)
InChIKeyPVDDBXXIWAAUTK-UHFFFAOYSA-N
XLogP1.26
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.26
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

2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide
CID 135223244
N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide
CID 18188386
N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide
CID 88622123
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659
4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate
CID 158042491
2-methyl-N-(4-pentoxybutyl)prop-2-enamide
CID 102118160
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
1,3-bis[2-(oxiran-2-ylmethoxy)ethyl]urea
CID 89261056
4-(2-methylprop-2-enoylamino)butyl acetate
CID 87413342
[acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate
CID 22292670
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 2-methyl-N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide (CID 140901902) is 2-methyl-N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide is C=C(C)C(=O)NCCCCCOCC1CO1.
What is the InChIKey of 2-methyl-N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide?
The InChIKey is PVDDBXXIWAAUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10(2)12(14)13-6-4-3-5-7-15-8-11-9-16-11/h11H,1,3-9H2,2H3,(H,13,14).
What are the key properties of 2-methyl-N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide?
2-methyl-N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide has a molecular weight of 227.30 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide is sourced from PubChem (CID 140901902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).