(2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]-N-phenyl-N-prop-2-enylhexanamide

C22H26ClNO2 — CID 53488231

IUPAC(2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]-N-phenyl-N-prop-2-enylhexanamide
SMILESC=CCN(C(=O)[C@H](CCCC)[C@H](O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H26ClNO2/c1-3-5-11-20(21(25)17-12-14-18(23)15-13-17)22(26)24(16-4-2)19-9-7-6-8-10-19/h4,6-10,12-15,20-21,25H,2-3,5,11,16H2,1H3/t20-,21-/m1/s1
InChIKeyILUKSHVAISHTLG-NHCUHLMSSA-N
MW371.91 g/mol
LogP5.40
Rot. Bonds9

About (2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]-N-phenyl-N-prop-2-enylhexanamide

(2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]-N-phenyl-N-prop-2-enylhexanamide (PubChem CID 53488231) has the molecular formula C22H26ClNO2 and a molecular weight of 371.91 g/mol. Its IUPAC name is (2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]-N-phenyl-N-prop-2-enylhexanamide.

Molecular Properties

Compound Name(2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]-N-phenyl-N-prop-2-enylhexanamide
PubChem CID53488231
Molecular FormulaC22H26ClNO2
Molecular Weight371.91 g/mol
Exact Mass371.17
IUPAC Name(2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]-N-phenyl-N-prop-2-enylhexanamide
SMILESC=CCN(C(=O)[C@H](CCCC)[C@H](O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C22H26ClNO2/c1-3-5-11-20(21(25)17-12-14-18(23)15-13-17)22(26)24(16-4-2)19-9-7-6-8-10-19/h4,6-10,12-15,20-21,25H,2-3,5,11,16H2,1H3/t20-,21-/m1/s1
InChIKeyILUKSHVAISHTLG-NHCUHLMSSA-N
XLogP5.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.91
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]-N-phenyl-N-prop-2-enylhexanamide?
The IUPAC name of (2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]-N-phenyl-N-prop-2-enylhexanamide (CID 53488231) is (2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]-N-phenyl-N-prop-2-enylhexanamide.
What is the SMILES notation for (2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]-N-phenyl-N-prop-2-enylhexanamide?
The canonical SMILES for (2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]-N-phenyl-N-prop-2-enylhexanamide is C=CCN(C(=O)[C@H](CCCC)[C@H](O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]-N-phenyl-N-prop-2-enylhexanamide?
The InChIKey is ILUKSHVAISHTLG-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H26ClNO2/c1-3-5-11-20(21(25)17-12-14-18(23)15-13-17)22(26)24(16-4-2)19-9-7-6-8-10-19/h4,6-10,12-15,20-21,25H,2-3,5,11,16H2,1H3/t20-,21-/m1/s1.
What are the key properties of (2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]-N-phenyl-N-prop-2-enylhexanamide?
(2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]-N-phenyl-N-prop-2-enylhexanamide has a molecular weight of 371.91 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-(4-chlorophenyl)-hydroxymethyl]-N-phenyl-N-prop-2-enylhexanamide is sourced from PubChem (CID 53488231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).