4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide

C20H25NO3 — CID 19174762

IUPAC4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
SMILESCc1ccc(OCCNC(=O)CCCOc2ccccc2C)cc1
InChIInChI=1S/C20H25NO3/c1-16-9-11-18(12-10-16)23-15-13-21-20(22)8-5-14-24-19-7-4-3-6-17(19)2/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3,(H,21,22)
InChIKeyGTYUVXYUFHFNDR-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.66
Rot. Bonds9

About 4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide

4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide (PubChem CID 19174762) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
PubChem CID19174762
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
SMILESCc1ccc(OCCNC(=O)CCCOc2ccccc2C)cc1
InChIInChI=1S/C20H25NO3/c1-16-9-11-18(12-10-16)23-15-13-21-20(22)8-5-14-24-19-7-4-3-6-17(19)2/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3,(H,21,22)
InChIKeyGTYUVXYUFHFNDR-UHFFFAOYSA-N
XLogP3.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.66
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

N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
CID 119772252
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide
CID 60538344
4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 24819647
2-amino-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119300070
N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide
CID 600522
N-(4-hydroxybutyl)-4-(4-methylphenoxy)butanamide
CID 106843542
4-(methylamino)-N-[3-(4-methylphenoxy)propyl]butanamide;hydrochloride
CID 119757236
2-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 43915467
(2S)-2-hydroxy-4-[4-(2-methylphenoxy)butanoylamino]butanoic acid
CID 107834348

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide?
The IUPAC name of 4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide (CID 19174762) is 4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide.
What is the SMILES notation for 4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide?
The canonical SMILES for 4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide is Cc1ccc(OCCNC(=O)CCCOc2ccccc2C)cc1.
What is the InChIKey of 4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide?
The InChIKey is GTYUVXYUFHFNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-16-9-11-18(12-10-16)23-15-13-21-20(22)8-5-14-24-19-7-4-3-6-17(19)2/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3,(H,21,22).
What are the key properties of 4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide?
4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide has a molecular weight of 327.42 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide is sourced from PubChem (CID 19174762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).