N-(2-propylcycloheptyl)acetamide

C12H23NO — CID 3253519

IUPACN-(2-propylcycloheptyl)acetamide
SMILESCCCC1CCCCCC1NC(C)=O
InChIInChI=1S/C12H23NO/c1-3-7-11-8-5-4-6-9-12(11)13-10(2)14/h11-12H,3-9H2,1-2H3,(H,13,14)
InChIKeyJKPDKSYZRLVCRX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.87
Rot. Bonds3

About N-(2-propylcycloheptyl)acetamide

N-(2-propylcycloheptyl)acetamide (PubChem CID 3253519) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(2-propylcycloheptyl)acetamide.

Molecular Properties

Compound NameN-(2-propylcycloheptyl)acetamide
PubChem CID3253519
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(2-propylcycloheptyl)acetamide
SMILESCCCC1CCCCCC1NC(C)=O
InChIInChI=1S/C12H23NO/c1-3-7-11-8-5-4-6-9-12(11)13-10(2)14/h11-12H,3-9H2,1-2H3,(H,13,14)
InChIKeyJKPDKSYZRLVCRX-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-propylcycloheptyl)acetamide?
The IUPAC name of N-(2-propylcycloheptyl)acetamide (CID 3253519) is N-(2-propylcycloheptyl)acetamide.
What is the SMILES notation for N-(2-propylcycloheptyl)acetamide?
The canonical SMILES for N-(2-propylcycloheptyl)acetamide is CCCC1CCCCCC1NC(C)=O.
What is the InChIKey of N-(2-propylcycloheptyl)acetamide?
The InChIKey is JKPDKSYZRLVCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-7-11-8-5-4-6-9-12(11)13-10(2)14/h11-12H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-(2-propylcycloheptyl)acetamide?
N-(2-propylcycloheptyl)acetamide has a molecular weight of 197.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylcycloheptyl)acetamide is sourced from PubChem (CID 3253519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).