N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide

C25H25N3O5 — CID 121063227

IUPACN-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O5/c1-32-21-9-5-6-10-22(21)33-17-23(29)28-20-13-11-19(12-14-20)25(31)27-16-15-26-24(30)18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeySAXRBLOPNPYABT-UHFFFAOYSA-N
MW447.49 g/mol
LogP2.87
Rot. Bonds10

About N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide

N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide (PubChem CID 121063227) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
PubChem CID121063227
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC NameN-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25N3O5/c1-32-21-9-5-6-10-22(21)33-17-23(29)28-20-13-11-19(12-14-20)25(31)27-16-15-26-24(30)18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeySAXRBLOPNPYABT-UHFFFAOYSA-N
XLogP2.87
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218233
N-[4-(4-acetylanilino)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 112988234
N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide
CID 108542880
N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-methylbenzamide
CID 17252265
4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062341
N-benzyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 4798347
2-(2-methoxyphenoxy)-N-[4-(3-methoxypropylamino)phenyl]acetamide
CID 112981073
5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 880340
N-(2-acetamidoethyl)-4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzamide
CID 121062189
4-benzamido-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 55534844
3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 108542879

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide (CID 121063227) is N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide is COc1ccccc1OCC(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide?
The InChIKey is SAXRBLOPNPYABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-32-21-9-5-6-10-22(21)33-17-23(29)28-20-13-11-19(12-14-20)25(31)27-16-15-26-24(30)18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H,26,30)(H,27,31)(H,28,29).
What are the key properties of N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide?
N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide has a molecular weight of 447.49 g/mol, XLogP of 2.87, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 121063227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).