2,2-dichloro-N-[3-(cyclohexylamino)propyl]acetamide;hydrochloride

C11H21Cl3N2O — CID 2964200

IUPAC2,2-dichloro-N-[3-(cyclohexylamino)propyl]acetamide;hydrochloride
SMILESCl.O=C(NCCCNC1CCCCC1)C(Cl)Cl
InChIInChI=1S/C11H20Cl2N2O.ClH/c12-10(13)11(16)15-8-4-7-14-9-5-2-1-3-6-9;/h9-10,14H,1-8H2,(H,15,16);1H
InChIKeyZLLWDHLYSIYWMD-UHFFFAOYSA-N
MW303.66 g/mol
LogP2.64
Rot. Bonds6

About 2,2-dichloro-N-[3-(cyclohexylamino)propyl]acetamide;hydrochloride

2,2-dichloro-N-[3-(cyclohexylamino)propyl]acetamide;hydrochloride (PubChem CID 2964200) has the molecular formula C11H21Cl3N2O and a molecular weight of 303.66 g/mol. Its IUPAC name is 2,2-dichloro-N-[3-(cyclohexylamino)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2,2-dichloro-N-[3-(cyclohexylamino)propyl]acetamide;hydrochloride
PubChem CID2964200
Molecular FormulaC11H21Cl3N2O
Molecular Weight303.66 g/mol
Exact Mass302.07
IUPAC Name2,2-dichloro-N-[3-(cyclohexylamino)propyl]acetamide;hydrochloride
SMILESCl.O=C(NCCCNC1CCCCC1)C(Cl)Cl
InChIInChI=1S/C11H20Cl2N2O.ClH/c12-10(13)11(16)15-8-4-7-14-9-5-2-1-3-6-9;/h9-10,14H,1-8H2,(H,15,16);1H
InChIKeyZLLWDHLYSIYWMD-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.66
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[3-(cyclohexylamino)propyl]acetamide;hydrochloride?
The IUPAC name of 2,2-dichloro-N-[3-(cyclohexylamino)propyl]acetamide;hydrochloride (CID 2964200) is 2,2-dichloro-N-[3-(cyclohexylamino)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2,2-dichloro-N-[3-(cyclohexylamino)propyl]acetamide;hydrochloride?
The canonical SMILES for 2,2-dichloro-N-[3-(cyclohexylamino)propyl]acetamide;hydrochloride is Cl.O=C(NCCCNC1CCCCC1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[3-(cyclohexylamino)propyl]acetamide;hydrochloride?
The InChIKey is ZLLWDHLYSIYWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Cl2N2O.ClH/c12-10(13)11(16)15-8-4-7-14-9-5-2-1-3-6-9;/h9-10,14H,1-8H2,(H,15,16);1H.
What are the key properties of 2,2-dichloro-N-[3-(cyclohexylamino)propyl]acetamide;hydrochloride?
2,2-dichloro-N-[3-(cyclohexylamino)propyl]acetamide;hydrochloride has a molecular weight of 303.66 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[3-(cyclohexylamino)propyl]acetamide;hydrochloride is sourced from PubChem (CID 2964200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).