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

C16H24N4O — CID 143382148

IUPACN-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide
SMILES[H]/N=C1\C=CC=C\C1=N\C(=C)NCCCN(CC)C(=O)CC
InChIInChI=1S/C16H24N4O/c1-4-16(21)20(5-2)12-8-11-18-13(3)19-15-10-7-6-9-14(15)17/h6-7,9-10,17-18H,3-5,8,11-12H2,1-2H3/b17-14+,19-15-
InChIKeyWUZQPKFIPIUDFE-DPBMIUELSA-N
MW288.39 g/mol
LogP2.28
Rot. Bonds8

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

N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide (PubChem CID 143382148) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide
PubChem CID143382148
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide
SMILES[H]/N=C1\C=CC=C\C1=N\C(=C)NCCCN(CC)C(=O)CC
InChIInChI=1S/C16H24N4O/c1-4-16(21)20(5-2)12-8-11-18-13(3)19-15-10-7-6-9-14(15)17/h6-7,9-10,17-18H,3-5,8,11-12H2,1-2H3/b17-14+,19-15-
InChIKeyWUZQPKFIPIUDFE-DPBMIUELSA-N
XLogP2.28
TPSA68.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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?
The IUPAC name of N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide (CID 143382148) is N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide.
What is the SMILES notation for N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide?
The canonical SMILES for N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide is [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?
The InChIKey is WUZQPKFIPIUDFE-DPBMIUELSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-16(21)20(5-2)12-8-11-18-13(3)19-15-10-7-6-9-14(15)17/h6-7,9-10,17-18H,3-5,8,11-12H2,1-2H3/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?
N-ethyl-N-[3-[1-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)amino]ethenylamino]propyl]propanamide has a molecular weight of 288.39 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 143382148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).