4-(3-methylphenoxy)-N-phenylbutanamide

C17H19NO2 — CID 19173641

IUPAC4-(3-methylphenoxy)-N-phenylbutanamide
SMILESCc1cccc(OCCCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-14-7-5-10-16(13-14)20-12-6-11-17(19)18-15-8-3-2-4-9-15/h2-5,7-10,13H,6,11-12H2,1H3,(H,18,19)
InChIKeyVABPBARJOMUNMJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.79
Rot. Bonds6

About 4-(3-methylphenoxy)-N-phenylbutanamide

4-(3-methylphenoxy)-N-phenylbutanamide (PubChem CID 19173641) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-N-phenylbutanamide.

Molecular Properties

Compound Name4-(3-methylphenoxy)-N-phenylbutanamide
PubChem CID19173641
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-(3-methylphenoxy)-N-phenylbutanamide
SMILESCc1cccc(OCCCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-14-7-5-10-16(13-14)20-12-6-11-17(19)18-15-8-3-2-4-9-15/h2-5,7-10,13H,6,11-12H2,1H3,(H,18,19)
InChIKeyVABPBARJOMUNMJ-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.79
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-(4-methoxyphenyl)-4-[4-(3-methylphenoxy)butanoylamino]benzamide
CID 8884397
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide
CID 16589823
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646
4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 19173643
4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide
CID 112793578
N-(3-amino-4-methoxyphenyl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119419628
[2-(3-acetamidoanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7147989
4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 55677152
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
4-(3-methylphenoxy)butanoyl bromide
CID 21330549

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-N-phenylbutanamide?
The IUPAC name of 4-(3-methylphenoxy)-N-phenylbutanamide (CID 19173641) is 4-(3-methylphenoxy)-N-phenylbutanamide.
What is the SMILES notation for 4-(3-methylphenoxy)-N-phenylbutanamide?
The canonical SMILES for 4-(3-methylphenoxy)-N-phenylbutanamide is Cc1cccc(OCCCC(=O)Nc2ccccc2)c1.
What is the InChIKey of 4-(3-methylphenoxy)-N-phenylbutanamide?
The InChIKey is VABPBARJOMUNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-14-7-5-10-16(13-14)20-12-6-11-17(19)18-15-8-3-2-4-9-15/h2-5,7-10,13H,6,11-12H2,1H3,(H,18,19).
What are the key properties of 4-(3-methylphenoxy)-N-phenylbutanamide?
4-(3-methylphenoxy)-N-phenylbutanamide has a molecular weight of 269.34 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-N-phenylbutanamide is sourced from PubChem (CID 19173641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).