N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide

C15H19NO3 — CID 103842410

IUPACN-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCCC2=CCCC2)c1
InChIInChI=1S/C15H19NO3/c1-19-12-6-7-14(17)13(10-12)15(18)16-9-8-11-4-2-3-5-11/h4,6-7,10,17H,2-3,5,8-9H2,1H3,(H,16,18)
InChIKeyJXCFOHPAYRRKHW-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.63
Rot. Bonds5

About N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide

N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide (PubChem CID 103842410) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide
PubChem CID103842410
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCCC2=CCCC2)c1
InChIInChI=1S/C15H19NO3/c1-19-12-6-7-14(17)13(10-12)15(18)16-9-8-11-4-2-3-5-11/h4,6-7,10,17H,2-3,5,8-9H2,1H3,(H,16,18)
InChIKeyJXCFOHPAYRRKHW-UHFFFAOYSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide
CID 114153815
2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol
CID 103923815
N-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trimethoxybenzamide
CID 838037
N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide
CID 17489789
2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
CID 114504277
2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486788
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44998295
2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide
CID 56805762
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide
CID 42567551
3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 675725
N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 60666342
N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 25469750

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide (CID 103842410) is N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NCCC2=CCCC2)c1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide?
The InChIKey is JXCFOHPAYRRKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-19-12-6-7-14(17)13(10-12)15(18)16-9-8-11-4-2-3-5-11/h4,6-7,10,17H,2-3,5,8-9H2,1H3,(H,16,18).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide?
N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide has a molecular weight of 261.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 103842410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).