N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide

C16H24N2O2 — CID 22769485

IUPACN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCNCC(O)c1ccccc1)C1CCCC1
InChIInChI=1S/C16H24N2O2/c19-15(13-6-2-1-3-7-13)12-17-10-11-18-16(20)14-8-4-5-9-14/h1-3,6-7,14-15,17,19H,4-5,8-12H2,(H,18,20)
InChIKeyBELXNYXWQMGMRN-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.62
Rot. Bonds7

About N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide

N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide (PubChem CID 22769485) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide
PubChem CID22769485
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide
SMILESO=C(NCCNCC(O)c1ccccc1)C1CCCC1
InChIInChI=1S/C16H24N2O2/c19-15(13-6-2-1-3-7-13)12-17-10-11-18-16(20)14-8-4-5-9-14/h1-3,6-7,14-15,17,19H,4-5,8-12H2,(H,18,20)
InChIKeyBELXNYXWQMGMRN-UHFFFAOYSA-N
XLogP1.62
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide (CID 22769485) is N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide is O=C(NCCNCC(O)c1ccccc1)C1CCCC1.
What is the InChIKey of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide?
The InChIKey is BELXNYXWQMGMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-15(13-6-2-1-3-7-13)12-17-10-11-18-16(20)14-8-4-5-9-14/h1-3,6-7,14-15,17,19H,4-5,8-12H2,(H,18,20).
What are the key properties of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide?
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 22769485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).