2-methyl-N-(1,2,2-tributoxyethyl)prop-2-enamide

C18H35NO4 — CID 18690241

IUPAC2-methyl-N-(1,2,2-tributoxyethyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(OCCCC)C(OCCCC)OCCCC
InChIInChI=1S/C18H35NO4/c1-6-9-12-21-17(19-16(20)15(4)5)18(22-13-10-7-2)23-14-11-8-3/h17-18H,4,6-14H2,1-3,5H3,(H,19,20)
InChIKeyUFCGVOFNSHFMIG-UHFFFAOYSA-N
MW329.48 g/mol
LogP3.78
Rot. Bonds15

About 2-methyl-N-(1,2,2-tributoxyethyl)prop-2-enamide

2-methyl-N-(1,2,2-tributoxyethyl)prop-2-enamide (PubChem CID 18690241) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is 2-methyl-N-(1,2,2-tributoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,2-tributoxyethyl)prop-2-enamide
PubChem CID18690241
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Name2-methyl-N-(1,2,2-tributoxyethyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(OCCCC)C(OCCCC)OCCCC
InChIInChI=1S/C18H35NO4/c1-6-9-12-21-17(19-16(20)15(4)5)18(22-13-10-7-2)23-14-11-8-3/h17-18H,4,6-14H2,1-3,5H3,(H,19,20)
InChIKeyUFCGVOFNSHFMIG-UHFFFAOYSA-N
XLogP3.78
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,2-tributoxyethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(1,2,2-tributoxyethyl)prop-2-enamide (CID 18690241) is 2-methyl-N-(1,2,2-tributoxyethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(1,2,2-tributoxyethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(1,2,2-tributoxyethyl)prop-2-enamide is C=C(C)C(=O)NC(OCCCC)C(OCCCC)OCCCC.
What is the InChIKey of 2-methyl-N-(1,2,2-tributoxyethyl)prop-2-enamide?
The InChIKey is UFCGVOFNSHFMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4/c1-6-9-12-21-17(19-16(20)15(4)5)18(22-13-10-7-2)23-14-11-8-3/h17-18H,4,6-14H2,1-3,5H3,(H,19,20).
What are the key properties of 2-methyl-N-(1,2,2-tributoxyethyl)prop-2-enamide?
2-methyl-N-(1,2,2-tributoxyethyl)prop-2-enamide has a molecular weight of 329.48 g/mol, XLogP of 3.78, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,2-tributoxyethyl)prop-2-enamide is sourced from PubChem (CID 18690241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).