2-hydroxy-N-[2-(3-methylphenyl)propyl]cyclopentane-1-carboxamide

C16H23NO2 — CID 110015933

IUPAC2-hydroxy-N-[2-(3-methylphenyl)propyl]cyclopentane-1-carboxamide
SMILESCc1cccc(C(C)CNC(=O)C2CCCC2O)c1
InChIInChI=1S/C16H23NO2/c1-11-5-3-6-13(9-11)12(2)10-17-16(19)14-7-4-8-15(14)18/h3,5-6,9,12,14-15,18H,4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyHGFSCMBXZBVQAT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.38
Rot. Bonds4

About 2-hydroxy-N-[2-(3-methylphenyl)propyl]cyclopentane-1-carboxamide

2-hydroxy-N-[2-(3-methylphenyl)propyl]cyclopentane-1-carboxamide (PubChem CID 110015933) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(3-methylphenyl)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(3-methylphenyl)propyl]cyclopentane-1-carboxamide
PubChem CID110015933
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-hydroxy-N-[2-(3-methylphenyl)propyl]cyclopentane-1-carboxamide
SMILESCc1cccc(C(C)CNC(=O)C2CCCC2O)c1
InChIInChI=1S/C16H23NO2/c1-11-5-3-6-13(9-11)12(2)10-17-16(19)14-7-4-8-15(14)18/h3,5-6,9,12,14-15,18H,4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyHGFSCMBXZBVQAT-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(3-methylphenyl)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-hydroxy-N-[2-(3-methylphenyl)propyl]cyclopentane-1-carboxamide (CID 110015933) is 2-hydroxy-N-[2-(3-methylphenyl)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[2-(3-methylphenyl)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-[2-(3-methylphenyl)propyl]cyclopentane-1-carboxamide is Cc1cccc(C(C)CNC(=O)C2CCCC2O)c1.
What is the InChIKey of 2-hydroxy-N-[2-(3-methylphenyl)propyl]cyclopentane-1-carboxamide?
The InChIKey is HGFSCMBXZBVQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-5-3-6-13(9-11)12(2)10-17-16(19)14-7-4-8-15(14)18/h3,5-6,9,12,14-15,18H,4,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of 2-hydroxy-N-[2-(3-methylphenyl)propyl]cyclopentane-1-carboxamide?
2-hydroxy-N-[2-(3-methylphenyl)propyl]cyclopentane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(3-methylphenyl)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110015933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).