N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide

C17H24ClNO3 — CID 111450960

IUPACN-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide
SMILESCC1CCCC(OCC(=O)NCC(O)c2ccccc2Cl)C1
InChIInChI=1S/C17H24ClNO3/c1-12-5-4-6-13(9-12)22-11-17(21)19-10-16(20)14-7-2-3-8-15(14)18/h2-3,7-8,12-13,16,20H,4-6,9-11H2,1H3,(H,19,21)
InChIKeyALRDYGSSGIWZPR-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.08
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide (PubChem CID 111450960) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide
PubChem CID111450960
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide
SMILESCC1CCCC(OCC(=O)NCC(O)c2ccccc2Cl)C1
InChIInChI=1S/C17H24ClNO3/c1-12-5-4-6-13(9-12)22-11-17(21)19-10-16(20)14-7-2-3-8-15(14)18/h2-3,7-8,12-13,16,20H,4-6,9-11H2,1H3,(H,19,21)
InChIKeyALRDYGSSGIWZPR-UHFFFAOYSA-N
XLogP3.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(cyclopropylmethoxy)acetamide
CID 111450934
2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide
CID 86948525
2-cyclohexyloxy-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide
CID 111120177
N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide
CID 100597841
N-[2-(2-chlorophenyl)-2-(3-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 63475552
2-(2-chlorophenyl)-N-ethyl-2-(3-methylcyclohexyl)oxyethanamine
CID 63475023
(2S)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide
CID 95624769
(2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide
CID 98764146
1-(2-chlorophenyl)-2-[(2,6-dimethylpiperidin-1-yl)amino]ethanol
CID 83013771
N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97023264
5-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pentanoic acid
CID 97234393
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide
CID 111450920

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide (CID 111450960) is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide is CC1CCCC(OCC(=O)NCC(O)c2ccccc2Cl)C1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide?
The InChIKey is ALRDYGSSGIWZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-12-5-4-6-13(9-12)22-11-17(21)19-10-16(20)14-7-2-3-8-15(14)18/h2-3,7-8,12-13,16,20H,4-6,9-11H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide?
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide has a molecular weight of 325.84 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide is sourced from PubChem (CID 111450960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).