N,N'-bis(6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide

C22H32N2O4 — CID 152567326

IUPACN,N'-bis(6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide
SMILESCCOC1(CC)C=CC=CC1NC(=O)C(=O)NC1C=CC=CC1(CC)OCC
InChIInChI=1S/C22H32N2O4/c1-5-21(27-7-3)15-11-9-13-17(21)23-19(25)20(26)24-18-14-10-12-16-22(18,6-2)28-8-4/h9-18H,5-8H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyYQTBYLLMAQOIIY-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.58
Rot. Bonds8

About N,N'-bis(6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide

N,N'-bis(6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide (PubChem CID 152567326) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is N,N'-bis(6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide.

Molecular Properties

Compound NameN,N'-bis(6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide
PubChem CID152567326
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC NameN,N'-bis(6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide
SMILESCCOC1(CC)C=CC=CC1NC(=O)C(=O)NC1C=CC=CC1(CC)OCC
InChIInChI=1S/C22H32N2O4/c1-5-21(27-7-3)15-11-9-13-17(21)23-19(25)20(26)24-18-14-10-12-16-22(18,6-2)28-8-4/h9-18H,5-8H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyYQTBYLLMAQOIIY-UHFFFAOYSA-N
XLogP2.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide
CID 142122290
N'-(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide
CID 142592248
N,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide
CID 151250063
tert-butyl N-[1-[[1-(cyclohexa-1,5-dien-1-ylmethoxy)-3-methylbut-3-en-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 141942627

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide?
The IUPAC name of N,N'-bis(6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide (CID 152567326) is N,N'-bis(6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide.
What is the SMILES notation for N,N'-bis(6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide?
The canonical SMILES for N,N'-bis(6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide is CCOC1(CC)C=CC=CC1NC(=O)C(=O)NC1C=CC=CC1(CC)OCC.
What is the InChIKey of N,N'-bis(6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide?
The InChIKey is YQTBYLLMAQOIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-5-21(27-7-3)15-11-9-13-17(21)23-19(25)20(26)24-18-14-10-12-16-22(18,6-2)28-8-4/h9-18H,5-8H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis(6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide?
N,N'-bis(6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide has a molecular weight of 388.51 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide is sourced from PubChem (CID 152567326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).