N-butyl-2-chloro-N-(cyclohexen-1-yl)acetamide

C12H20ClNO — CID 13169268

IUPACN-butyl-2-chloro-N-(cyclohexen-1-yl)acetamide
SMILESCCCCN(C(=O)CCl)C1=CCCCC1
InChIInChI=1S/C12H20ClNO/c1-2-3-9-14(12(15)10-13)11-7-5-4-6-8-11/h7H,2-6,8-10H2,1H3
InChIKeyCTIKHROREVBSMA-UHFFFAOYSA-N
MW229.75 g/mol
LogP3.31
Rot. Bonds5

About N-butyl-2-chloro-N-(cyclohexen-1-yl)acetamide

N-butyl-2-chloro-N-(cyclohexen-1-yl)acetamide (PubChem CID 13169268) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is N-butyl-2-chloro-N-(cyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-(cyclohexen-1-yl)acetamide
PubChem CID13169268
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC NameN-butyl-2-chloro-N-(cyclohexen-1-yl)acetamide
SMILESCCCCN(C(=O)CCl)C1=CCCCC1
InChIInChI=1S/C12H20ClNO/c1-2-3-9-14(12(15)10-13)11-7-5-4-6-8-11/h7H,2-6,8-10H2,1H3
InChIKeyCTIKHROREVBSMA-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 53.31
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-butyl-2-chloro-N-(cyclohexen-1-yl)acetamide?
The IUPAC name of N-butyl-2-chloro-N-(cyclohexen-1-yl)acetamide (CID 13169268) is N-butyl-2-chloro-N-(cyclohexen-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-chloro-N-(cyclohexen-1-yl)acetamide?
The canonical SMILES for N-butyl-2-chloro-N-(cyclohexen-1-yl)acetamide is CCCCN(C(=O)CCl)C1=CCCCC1.
What is the InChIKey of N-butyl-2-chloro-N-(cyclohexen-1-yl)acetamide?
The InChIKey is CTIKHROREVBSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c1-2-3-9-14(12(15)10-13)11-7-5-4-6-8-11/h7H,2-6,8-10H2,1H3.
What are the key properties of N-butyl-2-chloro-N-(cyclohexen-1-yl)acetamide?
N-butyl-2-chloro-N-(cyclohexen-1-yl)acetamide has a molecular weight of 229.75 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-(cyclohexen-1-yl)acetamide is sourced from PubChem (CID 13169268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).