N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide

C14H21NO2 — CID 106843245

IUPACN-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NCCCCO)c1
InChIInChI=1S/C14H21NO2/c1-12-5-4-6-13(11-12)7-8-14(17)15-9-2-3-10-16/h4-6,11,16H,2-3,7-10H2,1H3,(H,15,17)
InChIKeyPOSCNJULSWKSNL-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.82
Rot. Bonds7

About N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide

N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide (PubChem CID 106843245) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
PubChem CID106843245
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NCCCCO)c1
InChIInChI=1S/C14H21NO2/c1-12-5-4-6-13(11-12)7-8-14(17)15-9-2-3-10-16/h4-6,11,16H,2-3,7-10H2,1H3,(H,15,17)
InChIKeyPOSCNJULSWKSNL-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

5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide
CID 79199375
N-(3-bromopropyl)-3-(3-methylphenyl)propanamide
CID 62365535
N-(6-iodohexyl)-3-(3-methylphenyl)propanamide
CID 107848481
N-(6-bromohexyl)-3-(3-methylphenyl)propanamide
CID 114008578
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(3-methylphenyl)propanamide
CID 103800925
N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119404890
ethyl 4-[3-(3-methylphenyl)propanoylamino]butanoate
CID 60700311
N-[4-(N-methylanilino)butyl]-3-(3-methylphenyl)propanamide
CID 60566428
3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 47327011
5-[2-(3-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 62314996
6-[2-(3-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 62315187
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide (CID 106843245) is N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)NCCCCO)c1.
What is the InChIKey of N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide?
The InChIKey is POSCNJULSWKSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12-5-4-6-13(11-12)7-8-14(17)15-9-2-3-10-16/h4-6,11,16H,2-3,7-10H2,1H3,(H,15,17).
What are the key properties of N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide?
N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide 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 N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 106843245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).