2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide

C20H24N2O4 — CID 108538068

IUPAC2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCNC(=O)CCCOc1ccccc1
InChIInChI=1S/C20H24N2O4/c1-25-18-11-6-5-10-17(18)20(24)22-14-13-21-19(23)12-7-15-26-16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3,(H,21,23)(H,22,24)
InChIKeyPAASRUVRBLEFJN-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.40
Rot. Bonds10

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

2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide (PubChem CID 108538068) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
PubChem CID108538068
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCNC(=O)CCCOc1ccccc1
InChIInChI=1S/C20H24N2O4/c1-25-18-11-6-5-10-17(18)20(24)22-14-13-21-19(23)12-7-15-26-16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3,(H,21,23)(H,22,24)
InChIKeyPAASRUVRBLEFJN-UHFFFAOYSA-N
XLogP2.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541769
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide
CID 108570753
N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide
CID 108541646
2-methoxy-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108538105
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
2,5-dimethoxy-N-(4-phenoxybutyl)benzamide
CID 18120226
4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 24819647
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide (CID 108538068) is 2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide is COc1ccccc1C(=O)NCCNC(=O)CCCOc1ccccc1.
What is the InChIKey of 2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide?
The InChIKey is PAASRUVRBLEFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-25-18-11-6-5-10-17(18)20(24)22-14-13-21-19(23)12-7-15-26-16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide?
2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide has a molecular weight of 356.42 g/mol, XLogP of 2.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide is sourced from PubChem (CID 108538068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).