N-(2-chloroethyl)-2-cycloheptyl-N-pentan-3-ylacetamide

C16H30ClNO — CID 114459017

IUPACN-(2-chloroethyl)-2-cycloheptyl-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCCl)C(=O)CC1CCCCCC1
InChIInChI=1S/C16H30ClNO/c1-3-15(4-2)18(12-11-17)16(19)13-14-9-7-5-6-8-10-14/h14-15H,3-13H2,1-2H3
InChIKeyVRIIKWOGZKPWPT-UHFFFAOYSA-N
MW287.87 g/mol
LogP4.60
Rot. Bonds7

About N-(2-chloroethyl)-2-cycloheptyl-N-pentan-3-ylacetamide

N-(2-chloroethyl)-2-cycloheptyl-N-pentan-3-ylacetamide (PubChem CID 114459017) has the molecular formula C16H30ClNO and a molecular weight of 287.87 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-cycloheptyl-N-pentan-3-ylacetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-cycloheptyl-N-pentan-3-ylacetamide
PubChem CID114459017
Molecular FormulaC16H30ClNO
Molecular Weight287.87 g/mol
Exact Mass287.20
IUPAC NameN-(2-chloroethyl)-2-cycloheptyl-N-pentan-3-ylacetamide
SMILESCCC(CC)N(CCCl)C(=O)CC1CCCCCC1
InChIInChI=1S/C16H30ClNO/c1-3-15(4-2)18(12-11-17)16(19)13-14-9-7-5-6-8-10-14/h14-15H,3-13H2,1-2H3
InChIKeyVRIIKWOGZKPWPT-UHFFFAOYSA-N
XLogP4.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.87
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-cycloheptyl-N-pentan-3-ylacetamide?
The IUPAC name of N-(2-chloroethyl)-2-cycloheptyl-N-pentan-3-ylacetamide (CID 114459017) is N-(2-chloroethyl)-2-cycloheptyl-N-pentan-3-ylacetamide.
What is the SMILES notation for N-(2-chloroethyl)-2-cycloheptyl-N-pentan-3-ylacetamide?
The canonical SMILES for N-(2-chloroethyl)-2-cycloheptyl-N-pentan-3-ylacetamide is CCC(CC)N(CCCl)C(=O)CC1CCCCCC1.
What is the InChIKey of N-(2-chloroethyl)-2-cycloheptyl-N-pentan-3-ylacetamide?
The InChIKey is VRIIKWOGZKPWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30ClNO/c1-3-15(4-2)18(12-11-17)16(19)13-14-9-7-5-6-8-10-14/h14-15H,3-13H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-2-cycloheptyl-N-pentan-3-ylacetamide?
N-(2-chloroethyl)-2-cycloheptyl-N-pentan-3-ylacetamide has a molecular weight of 287.87 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-cycloheptyl-N-pentan-3-ylacetamide is sourced from PubChem (CID 114459017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).