N-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide

C28H28N2O4 — CID 148500321

IUPACN-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)c1ccc(O)c(NC(=O)C2(N3CCOCC3)CC2)c1
InChIInChI=1S/C28H28N2O4/c31-25-11-10-23(19-24(25)29-27(33)28(12-13-28)30-14-16-34-17-15-30)26(32)18-20-6-8-22(9-7-20)21-4-2-1-3-5-21/h1-11,19,31H,12-18H2,(H,29,33)
InChIKeyMKNFABZAQYSGBI-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.29
Rot. Bonds7

About N-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide

N-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide (PubChem CID 148500321) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide
PubChem CID148500321
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC NameN-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)c1ccc(O)c(NC(=O)C2(N3CCOCC3)CC2)c1
InChIInChI=1S/C28H28N2O4/c31-25-11-10-23(19-24(25)29-27(33)28(12-13-28)30-14-16-34-17-15-30)26(32)18-20-6-8-22(9-7-20)21-4-2-1-3-5-21/h1-11,19,31H,12-18H2,(H,29,33)
InChIKeyMKNFABZAQYSGBI-UHFFFAOYSA-N
XLogP4.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide
CID 144714180
3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide
CID 86298919
N-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4-[2-(4-phenylphenyl)acetyl]benzamide
CID 148814669
3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzoic acid
CID 90460410
N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide
CID 162074516
N-[2-(3-methoxypropoxy)-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylacetamide
CID 161191064
1-morpholin-4-yl-N-[5-[2-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 149018821
N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
CID 123997655
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
N-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide
CID 122480296
2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
CID 87227519
N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 59627322

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide (CID 148500321) is N-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide is O=C(Cc1ccc(-c2ccccc2)cc1)c1ccc(O)c(NC(=O)C2(N3CCOCC3)CC2)c1.
What is the InChIKey of N-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide?
The InChIKey is MKNFABZAQYSGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c31-25-11-10-23(19-24(25)29-27(33)28(12-13-28)30-14-16-34-17-15-30)26(32)18-20-6-8-22(9-7-20)21-4-2-1-3-5-21/h1-11,19,31H,12-18H2,(H,29,33).
What are the key properties of N-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide?
N-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide has a molecular weight of 456.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-1-morpholin-4-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 148500321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).