N-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide

C12H23NO3 — CID 19038714

IUPACN-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide
SMILESC=C(C)C(=O)N(COC)COCCCCC
InChIInChI=1S/C12H23NO3/c1-5-6-7-8-16-10-13(9-15-4)12(14)11(2)3/h2,5-10H2,1,3-4H3
InChIKeySWKHEPUSIGHZJH-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.16
Rot. Bonds9

About N-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide

N-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide (PubChem CID 19038714) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide
PubChem CID19038714
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide
SMILESC=C(C)C(=O)N(COC)COCCCCC
InChIInChI=1S/C12H23NO3/c1-5-6-7-8-16-10-13(9-15-4)12(14)11(2)3/h2,5-10H2,1,3-4H3
InChIKeySWKHEPUSIGHZJH-UHFFFAOYSA-N
XLogP2.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide
CID 18794978
N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide
CID 139967484
N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide
CID 19038709
N-(2-methoxyethyl)-2-methyl-N-propylprop-2-enamide
CID 91054907
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
N-butyl-2-methyl-N-octylprop-2-enamide
CID 20743986
N-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide
CID 174821718
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
10-pentoxydecyl 2-methylprop-2-enoate
CID 139797940
bis(2-methylprop-2-enoic acid);2-pentoxyethanol
CID 22218874

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide?
The IUPAC name of N-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide (CID 19038714) is N-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide.
What is the SMILES notation for N-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide?
The canonical SMILES for N-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide is C=C(C)C(=O)N(COC)COCCCCC.
What is the InChIKey of N-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide?
The InChIKey is SWKHEPUSIGHZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-6-7-8-16-10-13(9-15-4)12(14)11(2)3/h2,5-10H2,1,3-4H3.
What are the key properties of N-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide?
N-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide has a molecular weight of 229.32 g/mol, XLogP of 2.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide is sourced from PubChem (CID 19038714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).