N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide

C15H23NO3 — CID 127115832

IUPACN-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
SMILESCOCCCNC(=O)CCCOc1ccccc1C
InChIInChI=1S/C15H23NO3/c1-13-7-3-4-8-14(13)19-12-5-9-15(17)16-10-6-11-18-2/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,16,17)
InChIKeyREZLTNGRSYFVIE-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.31
Rot. Bonds9

About N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide

N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide (PubChem CID 127115832) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
PubChem CID127115832
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
SMILESCOCCCNC(=O)CCCOc1ccccc1C
InChIInChI=1S/C15H23NO3/c1-13-7-3-4-8-14(13)19-12-5-9-15(17)16-10-6-11-18-2/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,16,17)
InChIKeyREZLTNGRSYFVIE-UHFFFAOYSA-N
XLogP2.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
CID 119772252
4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 19174762
N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide
CID 60538344
4-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43239219
4-bromo-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108539361
N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 32606836
(2S)-2-hydroxy-4-[4-(2-methylphenoxy)butanoylamino]butanoic acid
CID 107834348
N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide
CID 108541808
N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide
CID 108926624
2-[2-[4-(2-methylphenoxy)butanoylamino]ethylsulfanyl]acetic acid
CID 119242493
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide
CID 600522
2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108541813

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide (CID 127115832) is N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide is COCCCNC(=O)CCCOc1ccccc1C.
What is the InChIKey of N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide?
The InChIKey is REZLTNGRSYFVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-13-7-3-4-8-14(13)19-12-5-9-15(17)16-10-6-11-18-2/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide?
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide has a molecular weight of 265.35 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 127115832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).