N-[(2S,4R,6S)-2-(4-chlorophenyl)-4-methyl-6-(2-methylpropyl)oxan-4-yl]cyclopentanecarboxamide

C22H32ClNO2 — CID 110135262

IUPACN-[(2S,4R,6S)-2-(4-chlorophenyl)-4-methyl-6-(2-methylpropyl)oxan-4-yl]cyclopentanecarboxamide
SMILESCC(C)C[C@H]1C[C@@](C)(NC(=O)C2CCCC2)C[C@@H](c2ccc(Cl)cc2)O1
InChIInChI=1S/C22H32ClNO2/c1-15(2)12-19-13-22(3,24-21(25)17-6-4-5-7-17)14-20(26-19)16-8-10-18(23)11-9-16/h8-11,15,17,19-20H,4-7,12-14H2,1-3H3,(H,24,25)/t19-,20-,22+/m0/s1
InChIKeyJUDDAJIEANYVMR-JAXLGGSGSA-N
MW377.96 g/mol
LogP5.67
Rot. Bonds5

About N-[(2S,4R,6S)-2-(4-chlorophenyl)-4-methyl-6-(2-methylpropyl)oxan-4-yl]cyclopentanecarboxamide

N-[(2S,4R,6S)-2-(4-chlorophenyl)-4-methyl-6-(2-methylpropyl)oxan-4-yl]cyclopentanecarboxamide (PubChem CID 110135262) has the molecular formula C22H32ClNO2 and a molecular weight of 377.96 g/mol. Its IUPAC name is N-[(2S,4R,6S)-2-(4-chlorophenyl)-4-methyl-6-(2-methylpropyl)oxan-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2S,4R,6S)-2-(4-chlorophenyl)-4-methyl-6-(2-methylpropyl)oxan-4-yl]cyclopentanecarboxamide
PubChem CID110135262
Molecular FormulaC22H32ClNO2
Molecular Weight377.96 g/mol
Exact Mass377.21
IUPAC NameN-[(2S,4R,6S)-2-(4-chlorophenyl)-4-methyl-6-(2-methylpropyl)oxan-4-yl]cyclopentanecarboxamide
SMILESCC(C)C[C@H]1C[C@@](C)(NC(=O)C2CCCC2)C[C@@H](c2ccc(Cl)cc2)O1
InChIInChI=1S/C22H32ClNO2/c1-15(2)12-19-13-22(3,24-21(25)17-6-4-5-7-17)14-20(26-19)16-8-10-18(23)11-9-16/h8-11,15,17,19-20H,4-7,12-14H2,1-3H3,(H,24,25)/t19-,20-,22+/m0/s1
InChIKeyJUDDAJIEANYVMR-JAXLGGSGSA-N
XLogP5.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.96
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6S)-2-(4-chlorophenyl)-4-methyl-6-(2-methylpropyl)oxan-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2S,4R,6S)-2-(4-chlorophenyl)-4-methyl-6-(2-methylpropyl)oxan-4-yl]cyclopentanecarboxamide (CID 110135262) is N-[(2S,4R,6S)-2-(4-chlorophenyl)-4-methyl-6-(2-methylpropyl)oxan-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2S,4R,6S)-2-(4-chlorophenyl)-4-methyl-6-(2-methylpropyl)oxan-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2S,4R,6S)-2-(4-chlorophenyl)-4-methyl-6-(2-methylpropyl)oxan-4-yl]cyclopentanecarboxamide is CC(C)C[C@H]1C[C@@](C)(NC(=O)C2CCCC2)C[C@@H](c2ccc(Cl)cc2)O1.
What is the InChIKey of N-[(2S,4R,6S)-2-(4-chlorophenyl)-4-methyl-6-(2-methylpropyl)oxan-4-yl]cyclopentanecarboxamide?
The InChIKey is JUDDAJIEANYVMR-JAXLGGSGSA-N. The full InChI is InChI=1S/C22H32ClNO2/c1-15(2)12-19-13-22(3,24-21(25)17-6-4-5-7-17)14-20(26-19)16-8-10-18(23)11-9-16/h8-11,15,17,19-20H,4-7,12-14H2,1-3H3,(H,24,25)/t19-,20-,22+/m0/s1.
What are the key properties of N-[(2S,4R,6S)-2-(4-chlorophenyl)-4-methyl-6-(2-methylpropyl)oxan-4-yl]cyclopentanecarboxamide?
N-[(2S,4R,6S)-2-(4-chlorophenyl)-4-methyl-6-(2-methylpropyl)oxan-4-yl]cyclopentanecarboxamide has a molecular weight of 377.96 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6S)-2-(4-chlorophenyl)-4-methyl-6-(2-methylpropyl)oxan-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 110135262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).