4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide

C29H33N3O5 — CID 86298920

IUPAC4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
SMILESCOCCCOc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C29H33N3O5/c1-35-16-5-17-37-27-13-10-24(20-26(27)31-28(33)21-32-14-18-36-19-15-32)29(34)30-25-11-8-23(9-12-25)22-6-3-2-4-7-22/h2-4,6-13,20H,5,14-19,21H2,1H3,(H,30,34)(H,31,33)
InChIKeyXPPMBBOYPBUUEV-UHFFFAOYSA-N
MW503.60 g/mol
LogP4.29
Rot. Bonds11

About 4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide

4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide (PubChem CID 86298920) has the molecular formula C29H33N3O5 and a molecular weight of 503.60 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
PubChem CID86298920
Molecular FormulaC29H33N3O5
Molecular Weight503.60 g/mol
Exact Mass503.24
IUPAC Name4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
SMILESCOCCCOc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C29H33N3O5/c1-35-16-5-17-37-27-13-10-24(20-26(27)31-28(33)21-32-14-18-36-19-15-32)29(34)30-25-11-8-23(9-12-25)22-6-3-2-4-7-22/h2-4,6-13,20H,5,14-19,21H2,1H3,(H,30,34)(H,31,33)
InChIKeyXPPMBBOYPBUUEV-UHFFFAOYSA-N
XLogP4.29
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-methoxypropoxy)-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylacetamide
CID 161191064
4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86299107
4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 90459335
4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(4-phenylphenyl)benzamide
CID 90459667
tert-butyl-[4-[4-[[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]carbamoyl]phenyl]phenyl]carbamic acid
CID 118877629
1-N-(3-methoxypropyl)-2-[(2-morpholin-4-ylacetyl)amino]-1-N-(4-phenylphenyl)benzene-1,4-dicarboxamide
CID 90460306
3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide
CID 86298919
6-(4-fluorophenyl)-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]pyridine-3-carboxamide
CID 90464932
3,4,5-triethoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16611987
4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide
CID 90458981
N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-6-thiophen-2-ylpyridine-3-carboxamide
CID 118393455
N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
CID 123997655

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide?
The IUPAC name of 4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide (CID 86298920) is 4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide.
What is the SMILES notation for 4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide?
The canonical SMILES for 4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide is COCCCOc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1NC(=O)CN1CCOCC1.
What is the InChIKey of 4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide?
The InChIKey is XPPMBBOYPBUUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O5/c1-35-16-5-17-37-27-13-10-24(20-26(27)31-28(33)21-32-14-18-36-19-15-32)29(34)30-25-11-8-23(9-12-25)22-6-3-2-4-7-22/h2-4,6-13,20H,5,14-19,21H2,1H3,(H,30,34)(H,31,33).
What are the key properties of 4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide?
4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide has a molecular weight of 503.60 g/mol, XLogP of 4.29, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide is sourced from PubChem (CID 86298920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).