4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide

C24H25N3O4 — CID 121062341

IUPAC4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(NC(=O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C24H25N3O4/c1-2-22(28)25-14-15-26-24(30)18-10-12-19(13-11-18)27-23(29)16-31-21-9-5-7-17-6-3-4-8-20(17)21/h3-13H,2,14-16H2,1H3,(H,25,28)(H,26,30)(H,27,29)
InChIKeyLDIASUZRFHKUCT-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.11
Rot. Bonds9

About 4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide

4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide (PubChem CID 121062341) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
PubChem CID121062341
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(NC(=O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C24H25N3O4/c1-2-22(28)25-14-15-26-24(30)18-10-12-19(13-11-18)27-23(29)16-31-21-9-5-7-17-6-3-4-8-20(17)21/h3-13H,2,14-16H2,1H3,(H,25,28)(H,26,30)(H,27,29)
InChIKeyLDIASUZRFHKUCT-UHFFFAOYSA-N
XLogP3.11
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide
CID 17218734
N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 121063227
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
N-(4-methoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 835733
N-[2-(1H-indol-4-yl)ethyl]-4-[(2-naphthalen-1-yloxyacetyl)amino]benzamide
CID 171059897
N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide
CID 3297600
N-[4-(dimethylamino)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2327581
N-[4-[(2R)-butan-2-yl]phenyl]-2-naphthalen-1-yloxyacetamide
CID 7765844
N-(2-acetamidoethyl)-4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzamide
CID 121062189
N-(3,4-diethoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 7860223
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218233
4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17218695

Frequently Asked Questions

What is the IUPAC name of 4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide?
The IUPAC name of 4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide (CID 121062341) is 4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide.
What is the SMILES notation for 4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide?
The canonical SMILES for 4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide is CCC(=O)NCCNC(=O)c1ccc(NC(=O)COc2cccc3ccccc23)cc1.
What is the InChIKey of 4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide?
The InChIKey is LDIASUZRFHKUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-2-22(28)25-14-15-26-24(30)18-10-12-19(13-11-18)27-23(29)16-31-21-9-5-7-17-6-3-4-8-20(17)21/h3-13H,2,14-16H2,1H3,(H,25,28)(H,26,30)(H,27,29).
What are the key properties of 4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide?
4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide has a molecular weight of 419.48 g/mol, XLogP of 3.11, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide is sourced from PubChem (CID 121062341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).