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

C16H26N2O3 — CID 142592248

IUPACN'-(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide
SMILESCCOC1(CC)C=CC(C(C)(C)C)=CC1NC(=O)C(N)=O
InChIInChI=1S/C16H26N2O3/c1-6-16(21-7-2)9-8-11(15(3,4)5)10-12(16)18-14(20)13(17)19/h8-10,12H,6-7H2,1-5H3,(H2,17,19)(H,18,20)
InChIKeyUELBIMNWAJUTCA-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.68
Rot. Bonds4

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

N'-(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide (PubChem CID 142592248) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N'-(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide.

Molecular Properties

Compound NameN'-(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide
PubChem CID142592248
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN'-(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide
SMILESCCOC1(CC)C=CC(C(C)(C)C)=CC1NC(=O)C(N)=O
InChIInChI=1S/C16H26N2O3/c1-6-16(21-7-2)9-8-11(15(3,4)5)10-12(16)18-14(20)13(17)19/h8-10,12H,6-7H2,1-5H3,(H2,17,19)(H,18,20)
InChIKeyUELBIMNWAJUTCA-UHFFFAOYSA-N
XLogP1.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide
CID 151250063
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'-(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide?
The IUPAC name of N'-(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide (CID 142592248) is N'-(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide.
What is the SMILES notation for N'-(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide?
The canonical SMILES for N'-(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(N)=O.
What is the InChIKey of N'-(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide?
The InChIKey is UELBIMNWAJUTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-16(21-7-2)9-8-11(15(3,4)5)10-12(16)18-14(20)13(17)19/h8-10,12H,6-7H2,1-5H3,(H2,17,19)(H,18,20).
What are the key properties of N'-(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide?
N'-(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide has a molecular weight of 294.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide is sourced from PubChem (CID 142592248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).