N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide

C15H28N2O3 — CID 4191585

IUPACN-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCOCCNC(=O)C(NC(=O)C1CCCCC1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-11(2)13(15(19)16-9-10-20-3)17-14(18)12-7-5-4-6-8-12/h11-13H,4-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyHUHKXDQBPZGJLM-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.47
Rot. Bonds7

About N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide

N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide (PubChem CID 4191585) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
PubChem CID4191585
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCOCCNC(=O)C(NC(=O)C1CCCCC1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-11(2)13(15(19)16-9-10-20-3)17-14(18)12-7-5-4-6-8-12/h11-13H,4-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyHUHKXDQBPZGJLM-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-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide (CID 4191585) is N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide is COCCNC(=O)C(NC(=O)C1CCCCC1)C(C)C.
What is the InChIKey of N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The InChIKey is HUHKXDQBPZGJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)13(15(19)16-9-10-20-3)17-14(18)12-7-5-4-6-8-12/h11-13H,4-10H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
N-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide 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-[1-(2-methoxyethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 4191585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).