3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide

C20H24N2O3 — CID 108541759

IUPAC3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCNC(=O)CCCOc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-16-7-5-8-17(15-16)20(24)22-13-12-21-19(23)11-6-14-25-18-9-3-2-4-10-18/h2-5,7-10,15H,6,11-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyAZSHYPWGGNQDDN-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.70
Rot. Bonds9

About 3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide

3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide (PubChem CID 108541759) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
PubChem CID108541759
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCNC(=O)CCCOc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-16-7-5-8-17(15-16)20(24)22-13-12-21-19(23)11-6-14-25-18-9-3-2-4-10-18/h2-5,7-10,15H,6,11-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyAZSHYPWGGNQDDN-UHFFFAOYSA-N
XLogP2.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.70
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

3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide
CID 51241490
3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108541666
3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108539227
N-[2-(3-methylphenyl)ethyl]-4-phenoxybutanamide
CID 110288608
N-[3-[4-(4-chlorophenoxy)butylamino]-3-oxopropyl]-3-methylbenzamide
CID 18209020
3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108542336
[3-[2-(3-phenoxypropanoylamino)ethylcarbamoyl]phenyl] acetate
CID 108537486
2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541769
3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 35350696
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-[2-[4-(3-acetylphenoxy)butanoylamino]ethyl]-3-bromobenzamide
CID 60615622
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide (CID 108541759) is 3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide is Cc1cccc(C(=O)NCCNC(=O)CCCOc2ccccc2)c1.
What is the InChIKey of 3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide?
The InChIKey is AZSHYPWGGNQDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-16-7-5-8-17(15-16)20(24)22-13-12-21-19(23)11-6-14-25-18-9-3-2-4-10-18/h2-5,7-10,15H,6,11-14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide?
3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide is sourced from PubChem (CID 108541759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).