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

C11H20N2O4 — CID 21182208

IUPACN-(2,2-dimethoxyethyl)-2-methyl-2-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)NC(C)(C)C(=O)NCC(OC)OC
InChIInChI=1S/C11H20N2O4/c1-6-8(14)13-11(2,3)10(15)12-7-9(16-4)17-5/h6,9H,1,7H2,2-5H3,(H,12,15)(H,13,14)
InChIKeyOJCGFQQPMPEERK-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.20
Rot. Bonds7

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

N-(2,2-dimethoxyethyl)-2-methyl-2-(prop-2-enoylamino)propanamide (PubChem CID 21182208) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-methyl-2-(prop-2-enoylamino)propanamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-methyl-2-(prop-2-enoylamino)propanamide
PubChem CID21182208
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC NameN-(2,2-dimethoxyethyl)-2-methyl-2-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)NC(C)(C)C(=O)NCC(OC)OC
InChIInChI=1S/C11H20N2O4/c1-6-8(14)13-11(2,3)10(15)12-7-9(16-4)17-5/h6,9H,1,7H2,2-5H3,(H,12,15)(H,13,14)
InChIKeyOJCGFQQPMPEERK-UHFFFAOYSA-N
XLogP-0.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.20
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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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-methyl-2-(prop-2-enoylamino)propanamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-methyl-2-(prop-2-enoylamino)propanamide (CID 21182208) is N-(2,2-dimethoxyethyl)-2-methyl-2-(prop-2-enoylamino)propanamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-methyl-2-(prop-2-enoylamino)propanamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-methyl-2-(prop-2-enoylamino)propanamide is C=CC(=O)NC(C)(C)C(=O)NCC(OC)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-methyl-2-(prop-2-enoylamino)propanamide?
The InChIKey is OJCGFQQPMPEERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-6-8(14)13-11(2,3)10(15)12-7-9(16-4)17-5/h6,9H,1,7H2,2-5H3,(H,12,15)(H,13,14).
What are the key properties of N-(2,2-dimethoxyethyl)-2-methyl-2-(prop-2-enoylamino)propanamide?
N-(2,2-dimethoxyethyl)-2-methyl-2-(prop-2-enoylamino)propanamide has a molecular weight of 244.29 g/mol, XLogP of -0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-methyl-2-(prop-2-enoylamino)propanamide is sourced from PubChem (CID 21182208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).