5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide

C14H21NO2 — CID 79199375

IUPAC5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide
SMILESCc1cccc(CCNC(=O)CCCCO)c1
InChIInChI=1S/C14H21NO2/c1-12-5-4-6-13(11-12)8-9-15-14(17)7-2-3-10-16/h4-6,11,16H,2-3,7-10H2,1H3,(H,15,17)
InChIKeyXPPRHLLWWINRBK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.82
Rot. Bonds7

About 5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide

5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide (PubChem CID 79199375) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide
PubChem CID79199375
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide
SMILESCc1cccc(CCNC(=O)CCCCO)c1
InChIInChI=1S/C14H21NO2/c1-12-5-4-6-13(11-12)8-9-15-14(17)7-2-3-10-16/h4-6,11,16H,2-3,7-10H2,1H3,(H,15,17)
InChIKeyXPPRHLLWWINRBK-UHFFFAOYSA-N
XLogP1.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
CID 106843245
6-[2-(3-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 62315187
5-[2-(3-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 62314996
4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride
CID 119745493
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide
CID 110288608
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(3-methylphenyl)propanamide
CID 103800925
N-(3-bromopropyl)-3-(3-methylphenyl)propanamide
CID 62365535
N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119404890
5-[2-(3-methylphenyl)ethylamino]pentan-1-ol
CID 62315190
3-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110307624
3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314321

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide?
The IUPAC name of 5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide (CID 79199375) is 5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide.
What is the SMILES notation for 5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide?
The canonical SMILES for 5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide is Cc1cccc(CCNC(=O)CCCCO)c1.
What is the InChIKey of 5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide?
The InChIKey is XPPRHLLWWINRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12-5-4-6-13(11-12)8-9-15-14(17)7-2-3-10-16/h4-6,11,16H,2-3,7-10H2,1H3,(H,15,17).
What are the key properties of 5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide?
5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide has a molecular weight of 235.33 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide is sourced from PubChem (CID 79199375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).