3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide

C21H26N2O4 — CID 108539217

IUPAC3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
SMILESCCCc1ccc(OCC(=O)NCCNC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C21H26N2O4/c1-3-5-16-8-10-18(11-9-16)27-15-20(24)22-12-13-23-21(25)17-6-4-7-19(14-17)26-2/h4,6-11,14H,3,5,12-13,15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYDZLAIAAZDHVGF-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.57
Rot. Bonds10

About 3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide

3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide (PubChem CID 108539217) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
PubChem CID108539217
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
SMILESCCCc1ccc(OCC(=O)NCCNC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C21H26N2O4/c1-3-5-16-8-10-18(11-9-16)27-15-20(24)22-12-13-23-21(25)17-6-4-7-19(14-17)26-2/h4,6-11,14H,3,5,12-13,15H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYDZLAIAAZDHVGF-UHFFFAOYSA-N
XLogP2.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.57
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

N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide
CID 40718388
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid
CID 45396627
3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108539227
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542788
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
CID 108540833
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17196943
3-methoxy-N-tridecylbenzamide
CID 139819898
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide (CID 108539217) is 3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide is CCCc1ccc(OCC(=O)NCCNC(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of 3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide?
The InChIKey is YDZLAIAAZDHVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-5-16-8-10-18(11-9-16)27-15-20(24)22-12-13-23-21(25)17-6-4-7-19(14-17)26-2/h4,6-11,14H,3,5,12-13,15H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide?
3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 108539217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).