3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide

C29H26N2O4 — CID 17235625

IUPAC3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
SMILESO=C(Cc1ccccc1)Nc1cccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)c1
InChIInChI=1S/C29H26N2O4/c32-28(19-22-9-3-1-4-10-22)30-24-12-8-13-25(21-24)31-29(33)23-11-7-16-27(20-23)35-18-17-34-26-14-5-2-6-15-26/h1-16,20-21H,17-19H2,(H,30,32)(H,31,33)
InChIKeyCUQPYTWBHRJXRY-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.58
Rot. Bonds10

About 3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide

3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide (PubChem CID 17235625) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
PubChem CID17235625
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC Name3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
SMILESO=C(Cc1ccccc1)Nc1cccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)c1
InChIInChI=1S/C29H26N2O4/c32-28(19-22-9-3-1-4-10-22)30-24-12-8-13-25(21-24)31-29(33)23-11-7-16-27(20-23)35-18-17-34-26-14-5-2-6-15-26/h1-16,20-21H,17-19H2,(H,30,32)(H,31,33)
InChIKeyCUQPYTWBHRJXRY-UHFFFAOYSA-N
XLogP5.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.58
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-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142503
N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 26164724
4-(3-methylbutoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235614
2-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123541
3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 54790995
4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188307
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide
CID 17134273

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
The IUPAC name of 3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide (CID 17235625) is 3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide is O=C(Cc1ccccc1)Nc1cccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)c1.
What is the InChIKey of 3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
The InChIKey is CUQPYTWBHRJXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4/c32-28(19-22-9-3-1-4-10-22)30-24-12-8-13-25(21-24)31-29(33)23-11-7-16-27(20-23)35-18-17-34-26-14-5-2-6-15-26/h1-16,20-21H,17-19H2,(H,30,32)(H,31,33).
What are the key properties of 3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide?
3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide has a molecular weight of 466.54 g/mol, XLogP of 5.58, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 17235625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).