N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide;methoxymethane

C18H30N4O2 — CID 143382147

IUPACN-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide;methoxymethane
SMILESCOC.[H]/N=C1\C=CC=C\C1=N\C(=C)NCCCN(CC)C(=O)CC
InChIInChI=1S/C16H24N4O.C2H6O/c1-4-16(21)20(5-2)12-8-11-18-13(3)19-15-10-7-6-9-14(15)17;1-3-2/h6-7,9-10,17-18H,3-5,8,11-12H2,1-2H3;1-2H3/b17-14+,19-15-;
InChIKeyDWIGIGOVQDOHGK-NYRQZTTHSA-N
MW334.46 g/mol
LogP2.55
Rot. Bonds8

About N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide;methoxymethane

N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide;methoxymethane (PubChem CID 143382147) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide;methoxymethane.

Molecular Properties

Compound NameN-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide;methoxymethane
PubChem CID143382147
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide;methoxymethane
SMILESCOC.[H]/N=C1\C=CC=C\C1=N\C(=C)NCCCN(CC)C(=O)CC
InChIInChI=1S/C16H24N4O.C2H6O/c1-4-16(21)20(5-2)12-8-11-18-13(3)19-15-10-7-6-9-14(15)17;1-3-2/h6-7,9-10,17-18H,3-5,8,11-12H2,1-2H3;1-2H3/b17-14+,19-15-;
InChIKeyDWIGIGOVQDOHGK-NYRQZTTHSA-N
XLogP2.55
TPSA77.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide;methoxymethane?
The IUPAC name of N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide;methoxymethane (CID 143382147) is N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide;methoxymethane.
What is the SMILES notation for N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide;methoxymethane?
The canonical SMILES for N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide;methoxymethane is COC.[H]/N=C1\C=CC=C\C1=N\C(=C)NCCCN(CC)C(=O)CC.
What is the InChIKey of N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide;methoxymethane?
The InChIKey is DWIGIGOVQDOHGK-NYRQZTTHSA-N. The full InChI is InChI=1S/C16H24N4O.C2H6O/c1-4-16(21)20(5-2)12-8-11-18-13(3)19-15-10-7-6-9-14(15)17;1-3-2/h6-7,9-10,17-18H,3-5,8,11-12H2,1-2H3;1-2H3/b17-14+,19-15-;.
What are the key properties of N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide;methoxymethane?
N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide;methoxymethane has a molecular weight of 334.46 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide;methoxymethane is sourced from PubChem (CID 143382147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).