N-ethoxy-N-ethyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide

C12H18N2O4 — CID 175596926

IUPACN-ethoxy-N-ethyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide
SMILESCCON(CC)C(=O)CCN1C(=O)C=C(C)C1=O
InChIInChI=1S/C12H18N2O4/c1-4-14(18-5-2)10(15)6-7-13-11(16)8-9(3)12(13)17/h8H,4-7H2,1-3H3
InChIKeyOPHCWKYEILIPCA-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.49
Rot. Bonds6

About N-ethoxy-N-ethyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide

N-ethoxy-N-ethyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 175596926) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-ethoxy-N-ethyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-ethoxy-N-ethyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide
PubChem CID175596926
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-ethoxy-N-ethyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide
SMILESCCON(CC)C(=O)CCN1C(=O)C=C(C)C1=O
InChIInChI=1S/C12H18N2O4/c1-4-14(18-5-2)10(15)6-7-13-11(16)8-9(3)12(13)17/h8H,4-7H2,1-3H3
InChIKeyOPHCWKYEILIPCA-UHFFFAOYSA-N
XLogP0.49
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-N-ethyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-ethoxy-N-ethyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide (CID 175596926) is N-ethoxy-N-ethyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-ethoxy-N-ethyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-ethoxy-N-ethyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide is CCON(CC)C(=O)CCN1C(=O)C=C(C)C1=O.
What is the InChIKey of N-ethoxy-N-ethyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is OPHCWKYEILIPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-4-14(18-5-2)10(15)6-7-13-11(16)8-9(3)12(13)17/h8H,4-7H2,1-3H3.
What are the key properties of N-ethoxy-N-ethyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide?
N-ethoxy-N-ethyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 254.29 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N-ethyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 175596926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).