N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide

C16H23NO2 — CID 110010083

IUPACN-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCC1(Cc2ccccc2)CCCC1
InChIInChI=1S/C16H23NO2/c1-13(18)15(19)17-12-16(9-5-6-10-16)11-14-7-3-2-4-8-14/h2-4,7-8,13,18H,5-6,9-12H2,1H3,(H,17,19)
InChIKeyDRUQAXLIENNFOJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.29
Rot. Bonds5

About N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide

N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide (PubChem CID 110010083) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide
PubChem CID110010083
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NCC1(Cc2ccccc2)CCCC1
InChIInChI=1S/C16H23NO2/c1-13(18)15(19)17-12-16(9-5-6-10-16)11-14-7-3-2-4-8-14/h2-4,7-8,13,18H,5-6,9-12H2,1H3,(H,17,19)
InChIKeyDRUQAXLIENNFOJ-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide?
The IUPAC name of N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide (CID 110010083) is N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide?
The canonical SMILES for N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide is CC(O)C(=O)NCC1(Cc2ccccc2)CCCC1.
What is the InChIKey of N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide?
The InChIKey is DRUQAXLIENNFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(18)15(19)17-12-16(9-5-6-10-16)11-14-7-3-2-4-8-14/h2-4,7-8,13,18H,5-6,9-12H2,1H3,(H,17,19).
What are the key properties of N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide?
N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide has a molecular weight of 261.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide is sourced from PubChem (CID 110010083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).