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

C19H23NO2 — CID 60538344

IUPACN-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide
SMILESCc1ccccc1OCCNC(=O)CCCc1ccccc1
InChIInChI=1S/C19H23NO2/c1-16-8-5-6-12-18(16)22-15-14-20-19(21)13-7-11-17-9-3-2-4-10-17/h2-6,8-10,12H,7,11,13-15H2,1H3,(H,20,21)
InChIKeyFSMTZYCYZOBGCU-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.51
Rot. Bonds8

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

N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide (PubChem CID 60538344) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide
PubChem CID60538344
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide
SMILESCc1ccccc1OCCNC(=O)CCCc1ccccc1
InChIInChI=1S/C19H23NO2/c1-16-8-5-6-12-18(16)22-15-14-20-19(21)13-7-11-17-9-3-2-4-10-17/h2-6,8-10,12H,7,11,13-15H2,1H3,(H,20,21)
InChIKeyFSMTZYCYZOBGCU-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide
CID 600522
N-[4-(2-methylphenoxy)but-2-ynyl]-4-phenylbutanamide
CID 90575257
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 19174762
4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
CID 119772252
4-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43239219
(2S)-2-hydroxy-4-[4-(2-methylphenoxy)butanoylamino]butanoic acid
CID 107834348
2-amino-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119300070
2-[2-[4-(2-methylphenoxy)butanoylamino]ethylsulfanyl]acetic acid
CID 119242493
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742926
N-[2-(2-benzylphenoxy)ethyl]octadecanamide
CID 17384423

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide?
The IUPAC name of N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide (CID 60538344) is N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide?
The canonical SMILES for N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide is Cc1ccccc1OCCNC(=O)CCCc1ccccc1.
What is the InChIKey of N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide?
The InChIKey is FSMTZYCYZOBGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-16-8-5-6-12-18(16)22-15-14-20-19(21)13-7-11-17-9-3-2-4-10-17/h2-6,8-10,12H,7,11,13-15H2,1H3,(H,20,21).
What are the key properties of N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide?
N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide has a molecular weight of 297.40 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide is sourced from PubChem (CID 60538344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).