N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]cyclopenta-1,4-diene-1-carboxamide

C13H20N2O4 — CID 163721839

IUPACN-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]cyclopenta-1,4-diene-1-carboxamide
SMILESCNC(=O)COCCOCCNC(=O)C1=CCC=C1
InChIInChI=1S/C13H20N2O4/c1-14-12(16)10-19-9-8-18-7-6-15-13(17)11-4-2-3-5-11/h2,4-5H,3,6-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyKSFPHWQLIBVHQL-UHFFFAOYSA-N
MW268.31 g/mol
LogP-0.23
Rot. Bonds9

About N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]cyclopenta-1,4-diene-1-carboxamide

N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]cyclopenta-1,4-diene-1-carboxamide (PubChem CID 163721839) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]cyclopenta-1,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]cyclopenta-1,4-diene-1-carboxamide
PubChem CID163721839
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]cyclopenta-1,4-diene-1-carboxamide
SMILESCNC(=O)COCCOCCNC(=O)C1=CCC=C1
InChIInChI=1S/C13H20N2O4/c1-14-12(16)10-19-9-8-18-7-6-15-13(17)11-4-2-3-5-11/h2,4-5H,3,6-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyKSFPHWQLIBVHQL-UHFFFAOYSA-N
XLogP-0.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]cyclopenta-1,4-diene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide
CID 58348969
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 89672467
(Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylidenehept-3-enamide
CID 89672469
(E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide
CID 138726684
(E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide
CID 138726688
(2E)-2-[(Z)-but-2-enylidene]-N,N'-bis(2-methoxyethyl)-3-methylidenebutanediamide
CID 142170272
(2E,4Z)-N,N'-bis(2-methoxyethyl)-2-methyl-6-methylidenehepta-2,4-dienediamide
CID 142170277
(Z)-2-ethenyl-N,N'-bis(2-methoxyethyl)-3-[(Z)-prop-1-enyl]but-2-enediamide
CID 142170281
2-methoxy-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]acetamide
CID 143338086
N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-methoxyacetamide
CID 143852733
ethane;(2E)-2-[(Z)-prop-1-enyl]-N-[2-(2-propoxyethoxy)ethyl]penta-2,4-dienamide
CID 144161057
(2E,3Z)-2-ethylidene-4-[2-[(2-methoxyacetyl)amino]ethyl]hexa-3,5-dienamide
CID 144172026

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]cyclopenta-1,4-diene-1-carboxamide?
The IUPAC name of N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]cyclopenta-1,4-diene-1-carboxamide (CID 163721839) is N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]cyclopenta-1,4-diene-1-carboxamide.
What is the SMILES notation for N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]cyclopenta-1,4-diene-1-carboxamide?
The canonical SMILES for N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]cyclopenta-1,4-diene-1-carboxamide is CNC(=O)COCCOCCNC(=O)C1=CCC=C1.
What is the InChIKey of N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]cyclopenta-1,4-diene-1-carboxamide?
The InChIKey is KSFPHWQLIBVHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-14-12(16)10-19-9-8-18-7-6-15-13(17)11-4-2-3-5-11/h2,4-5H,3,6-10H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]cyclopenta-1,4-diene-1-carboxamide?
N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]cyclopenta-1,4-diene-1-carboxamide has a molecular weight of 268.31 g/mol, XLogP of -0.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]cyclopenta-1,4-diene-1-carboxamide is sourced from PubChem (CID 163721839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).