N-(2,2-diethoxybutyl)-2-methyl-2-(prop-2-enoylamino)propanamide

C15H28N2O4 — CID 21182210

IUPACN-(2,2-diethoxybutyl)-2-methyl-2-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)NC(C)(C)C(=O)NCC(CC)(OCC)OCC
InChIInChI=1S/C15H28N2O4/c1-7-12(18)17-14(5,6)13(19)16-11-15(8-2,20-9-3)21-10-4/h7H,1,8-11H2,2-6H3,(H,16,19)(H,17,18)
InChIKeyGMWFDRCWLCTKNA-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.36
Rot. Bonds10

About N-(2,2-diethoxybutyl)-2-methyl-2-(prop-2-enoylamino)propanamide

N-(2,2-diethoxybutyl)-2-methyl-2-(prop-2-enoylamino)propanamide (PubChem CID 21182210) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(2,2-diethoxybutyl)-2-methyl-2-(prop-2-enoylamino)propanamide.

Molecular Properties

Compound NameN-(2,2-diethoxybutyl)-2-methyl-2-(prop-2-enoylamino)propanamide
PubChem CID21182210
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC NameN-(2,2-diethoxybutyl)-2-methyl-2-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)NC(C)(C)C(=O)NCC(CC)(OCC)OCC
InChIInChI=1S/C15H28N2O4/c1-7-12(18)17-14(5,6)13(19)16-11-15(8-2,20-9-3)21-10-4/h7H,1,8-11H2,2-6H3,(H,16,19)(H,17,18)
InChIKeyGMWFDRCWLCTKNA-UHFFFAOYSA-N
XLogP1.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(4,4-diethoxybutyl)-2-methyl-2-(prop-2-enoylamino)propanamide
CID 20673048
N-[1-(2,2-Dimethoxyethylcarbamoyl)-1-methylethyl]acrylamide
CID 21182208
Methyl 2-[[2-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]acetyl]amino]acetate
CID 123509499
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide
CID 166530467

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxybutyl)-2-methyl-2-(prop-2-enoylamino)propanamide?
The IUPAC name of N-(2,2-diethoxybutyl)-2-methyl-2-(prop-2-enoylamino)propanamide (CID 21182210) is N-(2,2-diethoxybutyl)-2-methyl-2-(prop-2-enoylamino)propanamide.
What is the SMILES notation for N-(2,2-diethoxybutyl)-2-methyl-2-(prop-2-enoylamino)propanamide?
The canonical SMILES for N-(2,2-diethoxybutyl)-2-methyl-2-(prop-2-enoylamino)propanamide is C=CC(=O)NC(C)(C)C(=O)NCC(CC)(OCC)OCC.
What is the InChIKey of N-(2,2-diethoxybutyl)-2-methyl-2-(prop-2-enoylamino)propanamide?
The InChIKey is GMWFDRCWLCTKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-7-12(18)17-14(5,6)13(19)16-11-15(8-2,20-9-3)21-10-4/h7H,1,8-11H2,2-6H3,(H,16,19)(H,17,18).
What are the key properties of N-(2,2-diethoxybutyl)-2-methyl-2-(prop-2-enoylamino)propanamide?
N-(2,2-diethoxybutyl)-2-methyl-2-(prop-2-enoylamino)propanamide has a molecular weight of 300.40 g/mol, XLogP of 1.36, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxybutyl)-2-methyl-2-(prop-2-enoylamino)propanamide is sourced from PubChem (CID 21182210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).