3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide

C18H20N2O3 — CID 40718391

IUPAC3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCNC(=O)Cc2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-23-16-9-5-8-15(13-16)18(22)20-11-10-19-17(21)12-14-6-3-2-4-7-14/h2-9,13H,10-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyWVTUTMLRVILLFB-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.78
Rot. Bonds7

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

3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide (PubChem CID 40718391) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
PubChem CID40718391
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCNC(=O)Cc2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-23-16-9-5-8-15(13-16)18(22)20-11-10-19-17(21)12-14-6-3-2-4-7-14/h2-9,13H,10-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyWVTUTMLRVILLFB-UHFFFAOYSA-N
XLogP1.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.78
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-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108539227
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
3-fluoro-N-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-4-methylbenzamide
CID 33326769
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
N-(3-benzylsulfonylpropyl)-3-methoxybenzamide
CID 86982137
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide
CID 35613279
3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
CID 108539217
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide (CID 40718391) is 3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide is COc1cccc(C(=O)NCCNC(=O)Cc2ccccc2)c1.
What is the InChIKey of 3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide?
The InChIKey is WVTUTMLRVILLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-23-16-9-5-8-15(13-16)18(22)20-11-10-19-17(21)12-14-6-3-2-4-7-14/h2-9,13H,10-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide?
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 40718391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).