3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide

C24H24N2O4 — CID 55841009

IUPAC3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide
SMILESNC(=O)CCOc1ccc(NC(=O)COc2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C24H24N2O4/c25-23(27)14-15-29-21-12-10-20(11-13-21)26-24(28)17-30-22-9-5-4-8-19(22)16-18-6-2-1-3-7-18/h1-13H,14-17H2,(H2,25,27)(H,26,28)
InChIKeyBRSSSJWBCQIROB-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.55
Rot. Bonds10

About 3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide

3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide (PubChem CID 55841009) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide
PubChem CID55841009
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide
SMILESNC(=O)CCOc1ccc(NC(=O)COc2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C24H24N2O4/c25-23(27)14-15-29-21-12-10-20(11-13-21)26-24(28)17-30-22-9-5-4-8-19(22)16-18-6-2-1-3-7-18/h1-13H,14-17H2,(H2,25,27)(H,26,28)
InChIKeyBRSSSJWBCQIROB-UHFFFAOYSA-N
XLogP3.55
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzylphenoxy)-N-[4-(carbamoylamino)phenyl]acetamide
CID 33152514
2-(2-benzylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7900618
2-[2-[4-(3-amino-3-oxopropoxy)anilino]-2-oxoethoxy]acetic acid
CID 61329797
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide
CID 86866265
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
2-[2-(hydroxymethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 86992188
2-(2,3-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130266
2-[4-[2-(3-benzyl-4-methoxyanilino)-2-oxoethoxy]phenyl]acetamide
CID 48673523
N-[4-(2-methoxyethoxy)phenyl]-2-(2-methylphenoxy)acetamide
CID 17340393
2-(2-benzylphenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 56578005
4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
CID 724713

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide?
The IUPAC name of 3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide (CID 55841009) is 3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide.
What is the SMILES notation for 3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide?
The canonical SMILES for 3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide is NC(=O)CCOc1ccc(NC(=O)COc2ccccc2Cc2ccccc2)cc1.
What is the InChIKey of 3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide?
The InChIKey is BRSSSJWBCQIROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c25-23(27)14-15-29-21-12-10-20(11-13-21)26-24(28)17-30-22-9-5-4-8-19(22)16-18-6-2-1-3-7-18/h1-13H,14-17H2,(H2,25,27)(H,26,28).
What are the key properties of 3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide?
3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide has a molecular weight of 404.47 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide is sourced from PubChem (CID 55841009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).