N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide

C26H27N3O4 — CID 123997655

IUPACN-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
SMILESO=C(CCN1CCOCC1)Nc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1O
InChIInChI=1S/C26H27N3O4/c30-24-11-10-22(18-23(24)28-25(31)12-13-29-14-16-33-17-15-29)27-26(32)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-11,18,30H,12-17H2,(H,27,32)(H,28,31)
InChIKeyNGQXQMOEFKIZAR-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.97
Rot. Bonds7

About N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide

N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide (PubChem CID 123997655) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
PubChem CID123997655
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
SMILESO=C(CCN1CCOCC1)Nc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1O
InChIInChI=1S/C26H27N3O4/c30-24-11-10-22(18-23(24)28-25(31)12-13-29-14-16-33-17-15-29)27-26(32)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-11,18,30H,12-17H2,(H,27,32)(H,28,31)
InChIKeyNGQXQMOEFKIZAR-UHFFFAOYSA-N
XLogP3.97
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86299107
3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
CID 119849282
4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide
CID 144714180
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
CID 55964556
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55784551
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)-5-[(4-phenylbenzoyl)amino]benzamide
CID 1064004
4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86298920
N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 59627322
4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 90459335
N-[4-fluoro-3-(2-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
CID 123219708

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide (CID 123997655) is N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide is O=C(CCN1CCOCC1)Nc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1O.
What is the InChIKey of N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide?
The InChIKey is NGQXQMOEFKIZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c30-24-11-10-22(18-23(24)28-25(31)12-13-29-14-16-33-17-15-29)27-26(32)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-11,18,30H,12-17H2,(H,27,32)(H,28,31).
What are the key properties of N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide?
N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide has a molecular weight of 445.52 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide is sourced from PubChem (CID 123997655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).