N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide

C14H24N2O2 — CID 2914644

IUPACN'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)16-13(18)12(17)15-10-9-11-7-5-4-6-8-11/h7H,4-6,8-10H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyNAFAQMINMRKSBF-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.91
Rot. Bonds3

About N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide

N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide (PubChem CID 2914644) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide
PubChem CID2914644
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide
SMILESCC(C)(C)NC(=O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)16-13(18)12(17)15-10-9-11-7-5-4-6-8-11/h7H,4-6,8-10H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyNAFAQMINMRKSBF-UHFFFAOYSA-N
XLogP1.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2289204
N-tert-butyl-2-[[N-[2-(cyclohexen-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111209182
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 107856010
6-N-tert-butyl-2-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2,6-dicarboxamide
CID 109095591
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264692
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44998295
2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide
CID 55028534
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 106178401
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
The IUPAC name of N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide (CID 2914644) is N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide.
What is the SMILES notation for N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
The canonical SMILES for N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide is CC(C)(C)NC(=O)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
The InChIKey is NAFAQMINMRKSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,3)16-13(18)12(17)15-10-9-11-7-5-4-6-8-11/h7H,4-6,8-10H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide?
N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide has a molecular weight of 252.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide is sourced from PubChem (CID 2914644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).