2-chloro-N-[methyl-(2-methylcyclohexyl)carbamoyl]propanamide

C12H21ClN2O2 — CID 55004290

IUPAC2-chloro-N-[methyl-(2-methylcyclohexyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)N(C)C1CCCCC1C
InChIInChI=1S/C12H21ClN2O2/c1-8-6-4-5-7-10(8)15(3)12(17)14-11(16)9(2)13/h8-10H,4-7H2,1-3H3,(H,14,16,17)
InChIKeyUSBQSHNJIRQMBF-UHFFFAOYSA-N
MW260.76 g/mol
LogP2.36
Rot. Bonds2

About 2-chloro-N-[methyl-(2-methylcyclohexyl)carbamoyl]propanamide

2-chloro-N-[methyl-(2-methylcyclohexyl)carbamoyl]propanamide (PubChem CID 55004290) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is 2-chloro-N-[methyl-(2-methylcyclohexyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[methyl-(2-methylcyclohexyl)carbamoyl]propanamide
PubChem CID55004290
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC Name2-chloro-N-[methyl-(2-methylcyclohexyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)N(C)C1CCCCC1C
InChIInChI=1S/C12H21ClN2O2/c1-8-6-4-5-7-10(8)15(3)12(17)14-11(16)9(2)13/h8-10H,4-7H2,1-3H3,(H,14,16,17)
InChIKeyUSBQSHNJIRQMBF-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-[methyl-(2-methylcyclohexyl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[methyl-(2-methylcyclohexyl)carbamoyl]propanamide (CID 55004290) is 2-chloro-N-[methyl-(2-methylcyclohexyl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[methyl-(2-methylcyclohexyl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[methyl-(2-methylcyclohexyl)carbamoyl]propanamide is CC(Cl)C(=O)NC(=O)N(C)C1CCCCC1C.
What is the InChIKey of 2-chloro-N-[methyl-(2-methylcyclohexyl)carbamoyl]propanamide?
The InChIKey is USBQSHNJIRQMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O2/c1-8-6-4-5-7-10(8)15(3)12(17)14-11(16)9(2)13/h8-10H,4-7H2,1-3H3,(H,14,16,17).
What are the key properties of 2-chloro-N-[methyl-(2-methylcyclohexyl)carbamoyl]propanamide?
2-chloro-N-[methyl-(2-methylcyclohexyl)carbamoyl]propanamide has a molecular weight of 260.76 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[methyl-(2-methylcyclohexyl)carbamoyl]propanamide is sourced from PubChem (CID 55004290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).