2-chloro-N-[(4-ethylcyclohexyl)-methylcarbamoyl]acetamide

C12H21ClN2O2 — CID 54947971

IUPAC2-chloro-N-[(4-ethylcyclohexyl)-methylcarbamoyl]acetamide
SMILESCCC1CCC(N(C)C(=O)NC(=O)CCl)CC1
InChIInChI=1S/C12H21ClN2O2/c1-3-9-4-6-10(7-5-9)15(2)12(17)14-11(16)8-13/h9-10H,3-8H2,1-2H3,(H,14,16,17)
InChIKeyKJJXSVWYCJSZGU-UHFFFAOYSA-N
MW260.76 g/mol
LogP2.36
Rot. Bonds3

About 2-chloro-N-[(4-ethylcyclohexyl)-methylcarbamoyl]acetamide

2-chloro-N-[(4-ethylcyclohexyl)-methylcarbamoyl]acetamide (PubChem CID 54947971) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is 2-chloro-N-[(4-ethylcyclohexyl)-methylcarbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-ethylcyclohexyl)-methylcarbamoyl]acetamide
PubChem CID54947971
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC Name2-chloro-N-[(4-ethylcyclohexyl)-methylcarbamoyl]acetamide
SMILESCCC1CCC(N(C)C(=O)NC(=O)CCl)CC1
InChIInChI=1S/C12H21ClN2O2/c1-3-9-4-6-10(7-5-9)15(2)12(17)14-11(16)8-13/h9-10H,3-8H2,1-2H3,(H,14,16,17)
InChIKeyKJJXSVWYCJSZGU-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-chloro-N-[(4-ethylcyclohexyl)-methylcarbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-ethylcyclohexyl)-methylcarbamoyl]acetamide (CID 54947971) is 2-chloro-N-[(4-ethylcyclohexyl)-methylcarbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-ethylcyclohexyl)-methylcarbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-ethylcyclohexyl)-methylcarbamoyl]acetamide is CCC1CCC(N(C)C(=O)NC(=O)CCl)CC1.
What is the InChIKey of 2-chloro-N-[(4-ethylcyclohexyl)-methylcarbamoyl]acetamide?
The InChIKey is KJJXSVWYCJSZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O2/c1-3-9-4-6-10(7-5-9)15(2)12(17)14-11(16)8-13/h9-10H,3-8H2,1-2H3,(H,14,16,17).
What are the key properties of 2-chloro-N-[(4-ethylcyclohexyl)-methylcarbamoyl]acetamide?
2-chloro-N-[(4-ethylcyclohexyl)-methylcarbamoyl]acetamide has a molecular weight of 260.76 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-ethylcyclohexyl)-methylcarbamoyl]acetamide is sourced from PubChem (CID 54947971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).