N,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide

C30H48N2O4 — CID 151250063

IUPACN,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide
SMILESCCOC1(CC)C=CC(C(C)(C)C)=CC1NC(=O)C(=O)NC1C=C(C(C)(C)C)C=CC1(CC)OCC
InChIInChI=1S/C30H48N2O4/c1-11-29(35-13-3)17-15-21(27(5,6)7)19-23(29)31-25(33)26(34)32-24-20-22(28(8,9)10)16-18-30(24,12-2)36-14-4/h15-20,23-24H,11-14H2,1-10H3,(H,31,33)(H,32,34)
InChIKeyNSDAYWWGFGMDSP-UHFFFAOYSA-N
MW500.72 g/mol
LogP5.41
Rot. Bonds8

About N,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide

N,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide (PubChem CID 151250063) has the molecular formula C30H48N2O4 and a molecular weight of 500.72 g/mol. Its IUPAC name is N,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide.

Molecular Properties

Compound NameN,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide
PubChem CID151250063
Molecular FormulaC30H48N2O4
Molecular Weight500.72 g/mol
Exact Mass500.36
IUPAC NameN,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide
SMILESCCOC1(CC)C=CC(C(C)(C)C)=CC1NC(=O)C(=O)NC1C=C(C(C)(C)C)C=CC1(CC)OCC
InChIInChI=1S/C30H48N2O4/c1-11-29(35-13-3)17-15-21(27(5,6)7)19-23(29)31-25(33)26(34)32-24-20-22(28(8,9)10)16-18-30(24,12-2)36-14-4/h15-20,23-24H,11-14H2,1-10H3,(H,31,33)(H,32,34)
InChIKeyNSDAYWWGFGMDSP-UHFFFAOYSA-N
XLogP5.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.72
LogP ≤ 55.41
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(6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide
CID 152567326

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide?
The IUPAC name of N,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide (CID 151250063) is N,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide.
What is the SMILES notation for N,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide?
The canonical SMILES for N,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide is CCOC1(CC)C=CC(C(C)(C)C)=CC1NC(=O)C(=O)NC1C=C(C(C)(C)C)C=CC1(CC)OCC.
What is the InChIKey of N,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide?
The InChIKey is NSDAYWWGFGMDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N2O4/c1-11-29(35-13-3)17-15-21(27(5,6)7)19-23(29)31-25(33)26(34)32-24-20-22(28(8,9)10)16-18-30(24,12-2)36-14-4/h15-20,23-24H,11-14H2,1-10H3,(H,31,33)(H,32,34).
What are the key properties of N,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide?
N,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide has a molecular weight of 500.72 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide is sourced from PubChem (CID 151250063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).