3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide

C19H22N2O4 — CID 108539227

IUPAC3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCNC(=O)CCOc2ccccc2)c1
InChIInChI=1S/C19H22N2O4/c1-24-17-9-5-6-15(14-17)19(23)21-12-11-20-18(22)10-13-25-16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyXKWHAVPGKAIHIK-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.01
Rot. Bonds9

About 3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide

3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide (PubChem CID 108539227) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
PubChem CID108539227
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCNC(=O)CCOc2ccccc2)c1
InChIInChI=1S/C19H22N2O4/c1-24-17-9-5-6-15(14-17)19(23)21-12-11-20-18(22)10-13-25-16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyXKWHAVPGKAIHIK-UHFFFAOYSA-N
XLogP2.01
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.01
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

[3-[2-(3-phenoxypropanoylamino)ethylcarbamoyl]phenyl] acetate
CID 108537486
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108542336
3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 35350696
3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541759
3-methoxy-N-[2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111005192
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide
CID 40718388
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide (CID 108539227) is 3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide is COc1cccc(C(=O)NCCNC(=O)CCOc2ccccc2)c1.
What is the InChIKey of 3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide?
The InChIKey is XKWHAVPGKAIHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-17-9-5-6-15(14-17)19(23)21-12-11-20-18(22)10-13-25-16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide?
3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide is sourced from PubChem (CID 108539227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).