3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide

C11H18Cl3NO2 — CID 73254061

IUPAC3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide
SMILESO=C(CCC1CCCCC1)NC(O)C(Cl)(Cl)Cl
InChIInChI=1S/C11H18Cl3NO2/c12-11(13,14)10(17)15-9(16)7-6-8-4-2-1-3-5-8/h8,10,17H,1-7H2,(H,15,16)
InChIKeyUGYFKBKGRXSYAV-UHFFFAOYSA-N
MW302.63 g/mol
LogP3.15
Rot. Bonds4

About 3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide

3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide (PubChem CID 73254061) has the molecular formula C11H18Cl3NO2 and a molecular weight of 302.63 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide
PubChem CID73254061
Molecular FormulaC11H18Cl3NO2
Molecular Weight302.63 g/mol
Exact Mass301.04
IUPAC Name3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide
SMILESO=C(CCC1CCCCC1)NC(O)C(Cl)(Cl)Cl
InChIInChI=1S/C11H18Cl3NO2/c12-11(13,14)10(17)15-9(16)7-6-8-4-2-1-3-5-8/h8,10,17H,1-7H2,(H,15,16)
InChIKeyUGYFKBKGRXSYAV-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.63
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-cyclohexylpropanoylamino)propanediamide
CID 47149965
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
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N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide
CID 114305958
N-(2-amino-1-cyclopentylethyl)-3-cyclohexylpropanamide
CID 106737712
(2S)-2-(3-cyclohexylpropanoylamino)-3,3-dimethylbutanoic acid
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N-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide
CID 106354559
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756
3-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 103772689
2-(3-cyclohexylpropanoylamino)pentanedioic acid
CID 60708364
N-(2-chloroethyl)-3-cyclohexylpropanamide
CID 61288292
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide
CID 106355641

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide (CID 73254061) is 3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide is O=C(CCC1CCCCC1)NC(O)C(Cl)(Cl)Cl.
What is the InChIKey of 3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide?
The InChIKey is UGYFKBKGRXSYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl3NO2/c12-11(13,14)10(17)15-9(16)7-6-8-4-2-1-3-5-8/h8,10,17H,1-7H2,(H,15,16).
What are the key properties of 3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide?
3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide has a molecular weight of 302.63 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2,2,2-trichloro-1-hydroxyethyl)propanamide is sourced from PubChem (CID 73254061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).