N-[(2E,4Z)-2-cyclohexa-1,5-dien-1-ylhexa-2,4-dienyl]-N-[(1-ethyl-5-oxoimidazolidin-2-yl)methyl]formamide

C19H27N3O2 — CID 89090857

IUPACN-[(2E,4Z)-2-cyclohexa-1,5-dien-1-ylhexa-2,4-dienyl]-N-[(1-ethyl-5-oxoimidazolidin-2-yl)methyl]formamide
SMILESC/C=C\C=C(\CN(C=O)CC1NCC(=O)N1CC)C1=CCCC=C1
InChIInChI=1S/C19H27N3O2/c1-3-5-9-17(16-10-7-6-8-11-16)13-21(15-23)14-18-20-12-19(24)22(18)4-2/h3,5,7,9-11,15,18,20H,4,6,8,12-14H2,1-2H3/b5-3-,17-9-
InChIKeyXBDUPZNAJPAQGC-WALZVQGWSA-N
MW329.44 g/mol
LogP2.00
Rot. Bonds8

About N-[(2E,4Z)-2-cyclohexa-1,5-dien-1-ylhexa-2,4-dienyl]-N-[(1-ethyl-5-oxoimidazolidin-2-yl)methyl]formamide

N-[(2E,4Z)-2-cyclohexa-1,5-dien-1-ylhexa-2,4-dienyl]-N-[(1-ethyl-5-oxoimidazolidin-2-yl)methyl]formamide (PubChem CID 89090857) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(2E,4Z)-2-cyclohexa-1,5-dien-1-ylhexa-2,4-dienyl]-N-[(1-ethyl-5-oxoimidazolidin-2-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(2E,4Z)-2-cyclohexa-1,5-dien-1-ylhexa-2,4-dienyl]-N-[(1-ethyl-5-oxoimidazolidin-2-yl)methyl]formamide
PubChem CID89090857
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[(2E,4Z)-2-cyclohexa-1,5-dien-1-ylhexa-2,4-dienyl]-N-[(1-ethyl-5-oxoimidazolidin-2-yl)methyl]formamide
SMILESC/C=C\C=C(\CN(C=O)CC1NCC(=O)N1CC)C1=CCCC=C1
InChIInChI=1S/C19H27N3O2/c1-3-5-9-17(16-10-7-6-8-11-16)13-21(15-23)14-18-20-12-19(24)22(18)4-2/h3,5,7,9-11,15,18,20H,4,6,8,12-14H2,1-2H3/b5-3-,17-9-
InChIKeyXBDUPZNAJPAQGC-WALZVQGWSA-N
XLogP2.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-2-cyclohexa-1,5-dien-1-ylhexa-2,4-dienyl]-N-[(1-ethyl-5-oxoimidazolidin-2-yl)methyl]formamide?
The IUPAC name of N-[(2E,4Z)-2-cyclohexa-1,5-dien-1-ylhexa-2,4-dienyl]-N-[(1-ethyl-5-oxoimidazolidin-2-yl)methyl]formamide (CID 89090857) is N-[(2E,4Z)-2-cyclohexa-1,5-dien-1-ylhexa-2,4-dienyl]-N-[(1-ethyl-5-oxoimidazolidin-2-yl)methyl]formamide.
What is the SMILES notation for N-[(2E,4Z)-2-cyclohexa-1,5-dien-1-ylhexa-2,4-dienyl]-N-[(1-ethyl-5-oxoimidazolidin-2-yl)methyl]formamide?
The canonical SMILES for N-[(2E,4Z)-2-cyclohexa-1,5-dien-1-ylhexa-2,4-dienyl]-N-[(1-ethyl-5-oxoimidazolidin-2-yl)methyl]formamide is C/C=C\C=C(\CN(C=O)CC1NCC(=O)N1CC)C1=CCCC=C1.
What is the InChIKey of N-[(2E,4Z)-2-cyclohexa-1,5-dien-1-ylhexa-2,4-dienyl]-N-[(1-ethyl-5-oxoimidazolidin-2-yl)methyl]formamide?
The InChIKey is XBDUPZNAJPAQGC-WALZVQGWSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-5-9-17(16-10-7-6-8-11-16)13-21(15-23)14-18-20-12-19(24)22(18)4-2/h3,5,7,9-11,15,18,20H,4,6,8,12-14H2,1-2H3/b5-3-,17-9-.
What are the key properties of N-[(2E,4Z)-2-cyclohexa-1,5-dien-1-ylhexa-2,4-dienyl]-N-[(1-ethyl-5-oxoimidazolidin-2-yl)methyl]formamide?
N-[(2E,4Z)-2-cyclohexa-1,5-dien-1-ylhexa-2,4-dienyl]-N-[(1-ethyl-5-oxoimidazolidin-2-yl)methyl]formamide has a molecular weight of 329.44 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-2-cyclohexa-1,5-dien-1-ylhexa-2,4-dienyl]-N-[(1-ethyl-5-oxoimidazolidin-2-yl)methyl]formamide is sourced from PubChem (CID 89090857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).