N-ethyl-2-(3-methyl-3-propan-2-ylcyclohexyl)acetamide

C14H27NO — CID 66601103

IUPACN-ethyl-2-(3-methyl-3-propan-2-ylcyclohexyl)acetamide
SMILESCCNC(=O)CC1CCCC(C)(C(C)C)C1
InChIInChI=1S/C14H27NO/c1-5-15-13(16)9-12-7-6-8-14(4,10-12)11(2)3/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyRNJZSUZUZGAYME-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.37
Rot. Bonds4

About N-ethyl-2-(3-methyl-3-propan-2-ylcyclohexyl)acetamide

N-ethyl-2-(3-methyl-3-propan-2-ylcyclohexyl)acetamide (PubChem CID 66601103) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-ethyl-2-(3-methyl-3-propan-2-ylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methyl-3-propan-2-ylcyclohexyl)acetamide
PubChem CID66601103
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-ethyl-2-(3-methyl-3-propan-2-ylcyclohexyl)acetamide
SMILESCCNC(=O)CC1CCCC(C)(C(C)C)C1
InChIInChI=1S/C14H27NO/c1-5-15-13(16)9-12-7-6-8-14(4,10-12)11(2)3/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyRNJZSUZUZGAYME-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methyl-3-propan-2-ylcyclohexyl)acetamide?
The IUPAC name of N-ethyl-2-(3-methyl-3-propan-2-ylcyclohexyl)acetamide (CID 66601103) is N-ethyl-2-(3-methyl-3-propan-2-ylcyclohexyl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-methyl-3-propan-2-ylcyclohexyl)acetamide?
The canonical SMILES for N-ethyl-2-(3-methyl-3-propan-2-ylcyclohexyl)acetamide is CCNC(=O)CC1CCCC(C)(C(C)C)C1.
What is the InChIKey of N-ethyl-2-(3-methyl-3-propan-2-ylcyclohexyl)acetamide?
The InChIKey is RNJZSUZUZGAYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-15-13(16)9-12-7-6-8-14(4,10-12)11(2)3/h11-12H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N-ethyl-2-(3-methyl-3-propan-2-ylcyclohexyl)acetamide?
N-ethyl-2-(3-methyl-3-propan-2-ylcyclohexyl)acetamide has a molecular weight of 225.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methyl-3-propan-2-ylcyclohexyl)acetamide is sourced from PubChem (CID 66601103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).