N,N-diethyl-2-(4-methylcyclohexyl)acetamide

C13H25NO — CID 10774870

IUPACN,N-diethyl-2-(4-methylcyclohexyl)acetamide
SMILESCCN(CC)C(=O)CC1CCC(C)CC1
InChIInChI=1S/C13H25NO/c1-4-14(5-2)13(15)10-12-8-6-11(3)7-9-12/h11-12H,4-10H2,1-3H3
InChIKeyJXYCAUCQEFVFEQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.07
Rot. Bonds4

About N,N-diethyl-2-(4-methylcyclohexyl)acetamide

N,N-diethyl-2-(4-methylcyclohexyl)acetamide (PubChem CID 10774870) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methylcyclohexyl)acetamide
PubChem CID10774870
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN,N-diethyl-2-(4-methylcyclohexyl)acetamide
SMILESCCN(CC)C(=O)CC1CCC(C)CC1
InChIInChI=1S/C13H25NO/c1-4-14(5-2)13(15)10-12-8-6-11(3)7-9-12/h11-12H,4-10H2,1-3H3
InChIKeyJXYCAUCQEFVFEQ-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methylcyclohexyl)acetamide?
The IUPAC name of N,N-diethyl-2-(4-methylcyclohexyl)acetamide (CID 10774870) is N,N-diethyl-2-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-methylcyclohexyl)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-methylcyclohexyl)acetamide is CCN(CC)C(=O)CC1CCC(C)CC1.
What is the InChIKey of N,N-diethyl-2-(4-methylcyclohexyl)acetamide?
The InChIKey is JXYCAUCQEFVFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-14(5-2)13(15)10-12-8-6-11(3)7-9-12/h11-12H,4-10H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-methylcyclohexyl)acetamide?
N,N-diethyl-2-(4-methylcyclohexyl)acetamide has a molecular weight of 211.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 10774870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).