4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide

C28H29N3O4 — CID 144714180

IUPAC4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)c(NC(=O)C2(N3CCOCC3)CCC2)c1
InChIInChI=1S/C28H29N3O4/c32-25-12-9-22(26(33)29-23-10-7-21(8-11-23)20-5-2-1-3-6-20)19-24(25)30-27(34)28(13-4-14-28)31-15-17-35-18-16-31/h1-3,5-12,19,32H,4,13-18H2,(H,29,33)(H,30,34)
InChIKeyZJKIVVMCKQRPDT-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.50
Rot. Bonds6

About 4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide

4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide (PubChem CID 144714180) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is 4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide
PubChem CID144714180
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Name4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)c(NC(=O)C2(N3CCOCC3)CCC2)c1
InChIInChI=1S/C28H29N3O4/c32-25-12-9-22(26(33)29-23-10-7-21(8-11-23)20-5-2-1-3-6-20)19-24(25)30-27(34)28(13-4-14-28)31-15-17-35-18-16-31/h1-3,5-12,19,32H,4,13-18H2,(H,29,33)(H,30,34)
InChIKeyZJKIVVMCKQRPDT-UHFFFAOYSA-N
XLogP4.50
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide
CID 148500321
3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide
CID 86298919
N-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide
CID 122480296
N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
CID 123997655
N-[4-(2-aminopyrimidin-5-yl)phenyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide
CID 122499939
N-(4-bromophenyl)-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide
CID 122480303
4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86299107
3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzoic acid
CID 90460410
3-fluoro-N-[4-hydroxy-3-(morpholin-4-ylsulfonylamino)phenyl]-4-phenylbenzamide
CID 175830759
4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86298920
4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide
CID 90458981
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide?
The IUPAC name of 4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide (CID 144714180) is 4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide.
What is the SMILES notation for 4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide?
The canonical SMILES for 4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(O)c(NC(=O)C2(N3CCOCC3)CCC2)c1.
What is the InChIKey of 4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide?
The InChIKey is ZJKIVVMCKQRPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c32-25-12-9-22(26(33)29-23-10-7-21(8-11-23)20-5-2-1-3-6-20)19-24(25)30-27(34)28(13-4-14-28)31-15-17-35-18-16-31/h1-3,5-12,19,32H,4,13-18H2,(H,29,33)(H,30,34).
What are the key properties of 4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide?
4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide has a molecular weight of 471.56 g/mol, XLogP of 4.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide is sourced from PubChem (CID 144714180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).