(Z,2E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-ethylidene-5-methylidenehept-3-enamide;(Z)-but-2-ene

C20H36N2O3 — CID 145465759

IUPAC(Z,2E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-ethylidene-5-methylidenehept-3-enamide;(Z)-but-2-ene
SMILESC/C=C\C.C=C(/C=C\C(=C/C)C(=O)NCCOCCOCCN)CC
InChIInChI=1S/C16H28N2O3.C4H8/c1-4-14(3)6-7-15(5-2)16(19)18-9-11-21-13-12-20-10-8-17;1-3-4-2/h5-7H,3-4,8-13,17H2,1-2H3,(H,18,19);3-4H,1-2H3/b7-6-,15-5+;4-3-
InChIKeyAGUUONIRDQRTGO-RCQKGZLKSA-N
MW352.52 g/mol
LogP3.15
Rot. Bonds12

About (Z,2E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-ethylidene-5-methylidenehept-3-enamide;(Z)-but-2-ene

(Z,2E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-ethylidene-5-methylidenehept-3-enamide;(Z)-but-2-ene (PubChem CID 145465759) has the molecular formula C20H36N2O3 and a molecular weight of 352.52 g/mol. Its IUPAC name is (Z,2E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-ethylidene-5-methylidenehept-3-enamide;(Z)-but-2-ene.

Molecular Properties

Compound Name(Z,2E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-ethylidene-5-methylidenehept-3-enamide;(Z)-but-2-ene
PubChem CID145465759
Molecular FormulaC20H36N2O3
Molecular Weight352.52 g/mol
Exact Mass352.27
IUPAC Name(Z,2E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-ethylidene-5-methylidenehept-3-enamide;(Z)-but-2-ene
SMILESC/C=C\C.C=C(/C=C\C(=C/C)C(=O)NCCOCCOCCN)CC
InChIInChI=1S/C16H28N2O3.C4H8/c1-4-14(3)6-7-15(5-2)16(19)18-9-11-21-13-12-20-10-8-17;1-3-4-2/h5-7H,3-4,8-13,17H2,1-2H3,(H,18,19);3-4H,1-2H3/b7-6-,15-5+;4-3-
InChIKeyAGUUONIRDQRTGO-RCQKGZLKSA-N
XLogP3.15
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z,2E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-ethylidene-5-methylidenehept-3-enamide;(Z)-but-2-ene 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

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 58348971
(Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide
CID 58348975
(E)-2-methyl-N-[2-[2-[[(E)-2-methylhept-2-en-6-ynoyl]amino]ethoxy]ethyl]hept-2-en-6-ynamide
CID 59035240
N-[2-[2-[2-[2-[(3,4-dioxocyclohexa-1,5-diene-1-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dioxocyclohexa-1,5-diene-1-carboxamide
CID 59282666
1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide
CID 70972150
N-[2-[2-(but-2-enoylamino)ethoxy]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 76769341
(Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide
CID 88899306
(2E,4E)-N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide
CID 88991078
N-(2-methoxyethyl)-3-methylcyclohexa-1,5-diene-1-carboxamide
CID 89337160
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
2-ethenyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide
CID 91111467

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-ethylidene-5-methylidenehept-3-enamide;(Z)-but-2-ene?
The IUPAC name of (Z,2E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-ethylidene-5-methylidenehept-3-enamide;(Z)-but-2-ene (CID 145465759) is (Z,2E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-ethylidene-5-methylidenehept-3-enamide;(Z)-but-2-ene.
What is the SMILES notation for (Z,2E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-ethylidene-5-methylidenehept-3-enamide;(Z)-but-2-ene?
The canonical SMILES for (Z,2E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-ethylidene-5-methylidenehept-3-enamide;(Z)-but-2-ene is C/C=C\C.C=C(/C=C\C(=C/C)C(=O)NCCOCCOCCN)CC.
What is the InChIKey of (Z,2E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-ethylidene-5-methylidenehept-3-enamide;(Z)-but-2-ene?
The InChIKey is AGUUONIRDQRTGO-RCQKGZLKSA-N. The full InChI is InChI=1S/C16H28N2O3.C4H8/c1-4-14(3)6-7-15(5-2)16(19)18-9-11-21-13-12-20-10-8-17;1-3-4-2/h5-7H,3-4,8-13,17H2,1-2H3,(H,18,19);3-4H,1-2H3/b7-6-,15-5+;4-3-.
What are the key properties of (Z,2E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-ethylidene-5-methylidenehept-3-enamide;(Z)-but-2-ene?
(Z,2E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-ethylidene-5-methylidenehept-3-enamide;(Z)-but-2-ene has a molecular weight of 352.52 g/mol, XLogP of 3.15, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-ethylidene-5-methylidenehept-3-enamide;(Z)-but-2-ene is sourced from PubChem (CID 145465759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).