N'-(2,3-dimethylcyclohexyl)-N-(2-methoxyethyl)butanediamide

C15H28N2O3 — CID 4202984

IUPACN'-(2,3-dimethylcyclohexyl)-N-(2-methoxyethyl)butanediamide
SMILESCOCCNC(=O)CCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C15H28N2O3/c1-11-5-4-6-13(12(11)2)17-15(19)8-7-14(18)16-9-10-20-3/h11-13H,4-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyVTPKSVUKFAKDLU-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.47
Rot. Bonds7

About N'-(2,3-dimethylcyclohexyl)-N-(2-methoxyethyl)butanediamide

N'-(2,3-dimethylcyclohexyl)-N-(2-methoxyethyl)butanediamide (PubChem CID 4202984) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N'-(2,3-dimethylcyclohexyl)-N-(2-methoxyethyl)butanediamide.

Molecular Properties

Compound NameN'-(2,3-dimethylcyclohexyl)-N-(2-methoxyethyl)butanediamide
PubChem CID4202984
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN'-(2,3-dimethylcyclohexyl)-N-(2-methoxyethyl)butanediamide
SMILESCOCCNC(=O)CCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C15H28N2O3/c1-11-5-4-6-13(12(11)2)17-15(19)8-7-14(18)16-9-10-20-3/h11-13H,4-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyVTPKSVUKFAKDLU-UHFFFAOYSA-N
XLogP1.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylcyclohexyl)-N-(2-methoxyethyl)butanediamide?
The IUPAC name of N'-(2,3-dimethylcyclohexyl)-N-(2-methoxyethyl)butanediamide (CID 4202984) is N'-(2,3-dimethylcyclohexyl)-N-(2-methoxyethyl)butanediamide.
What is the SMILES notation for N'-(2,3-dimethylcyclohexyl)-N-(2-methoxyethyl)butanediamide?
The canonical SMILES for N'-(2,3-dimethylcyclohexyl)-N-(2-methoxyethyl)butanediamide is COCCNC(=O)CCC(=O)NC1CCCC(C)C1C.
What is the InChIKey of N'-(2,3-dimethylcyclohexyl)-N-(2-methoxyethyl)butanediamide?
The InChIKey is VTPKSVUKFAKDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11-5-4-6-13(12(11)2)17-15(19)8-7-14(18)16-9-10-20-3/h11-13H,4-10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N'-(2,3-dimethylcyclohexyl)-N-(2-methoxyethyl)butanediamide?
N'-(2,3-dimethylcyclohexyl)-N-(2-methoxyethyl)butanediamide has a molecular weight of 284.40 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylcyclohexyl)-N-(2-methoxyethyl)butanediamide is sourced from PubChem (CID 4202984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).