N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide

C29H26N2O4 — CID 26164724

IUPACN-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(OCCOc4ccccc4)c3)c2)c1
InChIInChI=1S/C29H26N2O4/c1-21-8-5-11-24(18-21)30-28(32)22-9-6-12-25(19-22)31-29(33)23-10-7-15-27(20-23)35-17-16-34-26-13-3-2-4-14-26/h2-15,18-20H,16-17H2,1H3,(H,30,32)(H,31,33)
InChIKeyODRZSEDEODGEEW-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.96
Rot. Bonds9

About N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide

N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide (PubChem CID 26164724) has the molecular formula C29H26N2O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
PubChem CID26164724
Molecular FormulaC29H26N2O4
Molecular Weight466.54 g/mol
Exact Mass466.19
IUPAC NameN-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(OCCOc4ccccc4)c3)c2)c1
InChIInChI=1S/C29H26N2O4/c1-21-8-5-11-24(18-21)30-28(32)22-9-6-12-25(19-22)31-29(33)23-10-7-15-27(20-23)35-17-16-34-26-13-3-2-4-14-26/h2-15,18-20H,16-17H2,1H3,(H,30,32)(H,31,33)
InChIKeyODRZSEDEODGEEW-UHFFFAOYSA-N
XLogP5.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.96
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

3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
N-[3-(2-phenoxyethoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142503
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-(2-phenoxyethoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235625
N-(2,5-dimethylphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4954927
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
CID 164625380
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N-ethyl-3-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-phenylbenzamide
CID 17222007
4-bromo-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 54791265
N-[3-(azepane-1-carbonyl)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 26159512

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide?
The IUPAC name of N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide (CID 26164724) is N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide is Cc1cccc(NC(=O)c2cccc(NC(=O)c3cccc(OCCOc4ccccc4)c3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide?
The InChIKey is ODRZSEDEODGEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4/c1-21-8-5-11-24(18-21)30-28(32)22-9-6-12-25(19-22)31-29(33)23-10-7-15-27(20-23)35-17-16-34-26-13-3-2-4-14-26/h2-15,18-20H,16-17H2,1H3,(H,30,32)(H,31,33).
What are the key properties of N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide?
N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide has a molecular weight of 466.54 g/mol, XLogP of 5.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 26164724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).