(1S,2S,5R)-N-benzyl-2-methyl-5-propan-2-ylcyclopentane-1-carboxamide

C17H25NO — CID 58850798

IUPAC(1S,2S,5R)-N-benzyl-2-methyl-5-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)[C@H]1CC[C@H](C)[C@@H]1C(=O)NCc1ccccc1
InChIInChI=1S/C17H25NO/c1-12(2)15-10-9-13(3)16(15)17(19)18-11-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H,18,19)/t13-,15+,16-/m0/s1
InChIKeyUDEGLAQJHXGEFE-IMJJTQAJSA-N
MW259.39 g/mol
LogP3.62
Rot. Bonds4

About (1S,2S,5R)-N-benzyl-2-methyl-5-propan-2-ylcyclopentane-1-carboxamide

(1S,2S,5R)-N-benzyl-2-methyl-5-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 58850798) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (1S,2S,5R)-N-benzyl-2-methyl-5-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,2S,5R)-N-benzyl-2-methyl-5-propan-2-ylcyclopentane-1-carboxamide
PubChem CID58850798
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(1S,2S,5R)-N-benzyl-2-methyl-5-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)[C@H]1CC[C@H](C)[C@@H]1C(=O)NCc1ccccc1
InChIInChI=1S/C17H25NO/c1-12(2)15-10-9-13(3)16(15)17(19)18-11-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H,18,19)/t13-,15+,16-/m0/s1
InChIKeyUDEGLAQJHXGEFE-IMJJTQAJSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-N-benzyl-2-methyl-5-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of (1S,2S,5R)-N-benzyl-2-methyl-5-propan-2-ylcyclopentane-1-carboxamide (CID 58850798) is (1S,2S,5R)-N-benzyl-2-methyl-5-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for (1S,2S,5R)-N-benzyl-2-methyl-5-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for (1S,2S,5R)-N-benzyl-2-methyl-5-propan-2-ylcyclopentane-1-carboxamide is CC(C)[C@H]1CC[C@H](C)[C@@H]1C(=O)NCc1ccccc1.
What is the InChIKey of (1S,2S,5R)-N-benzyl-2-methyl-5-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is UDEGLAQJHXGEFE-IMJJTQAJSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)15-10-9-13(3)16(15)17(19)18-11-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H,18,19)/t13-,15+,16-/m0/s1.
What are the key properties of (1S,2S,5R)-N-benzyl-2-methyl-5-propan-2-ylcyclopentane-1-carboxamide?
(1S,2S,5R)-N-benzyl-2-methyl-5-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 259.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-N-benzyl-2-methyl-5-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 58850798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).