N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide

C14H21NO3 — CID 106843312

IUPACN-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCCCCO
InChIInChI=1S/C14H21NO3/c1-18-13-7-3-2-6-12(13)8-9-14(17)15-10-4-5-11-16/h2-3,6-7,16H,4-5,8-11H2,1H3,(H,15,17)
InChIKeyLETKFLMNCOQELD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.52
Rot. Bonds8

About N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide

N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide (PubChem CID 106843312) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide
PubChem CID106843312
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCCCCO
InChIInChI=1S/C14H21NO3/c1-18-13-7-3-2-6-12(13)8-9-14(17)15-10-4-5-11-16/h2-3,6-7,16H,4-5,8-11H2,1H3,(H,15,17)
InChIKeyLETKFLMNCOQELD-UHFFFAOYSA-N
XLogP1.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
N-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 108525840
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
N-(2,3-dihydroxypropyl)-3-(2-methoxyphenyl)propanamide
CID 66175795
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
3-(2-ethoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 78805149
N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 39930096
N-[2-(3-fluorophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 18118760

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide (CID 106843312) is N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)NCCCCO.
What is the InChIKey of N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide?
The InChIKey is LETKFLMNCOQELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-18-13-7-3-2-6-12(13)8-9-14(17)15-10-4-5-11-16/h2-3,6-7,16H,4-5,8-11H2,1H3,(H,15,17).
What are the key properties of N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide?
N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 106843312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).