3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide

C23H24N2O3 — CID 139454444

IUPAC3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide
SMILESCOC(O)Nc1cccc(-c2ccc(-c3ccccc3)cc2CCC(N)=O)c1
InChIInChI=1S/C23H24N2O3/c1-28-23(27)25-20-9-5-8-18(15-20)21-12-10-17(16-6-3-2-4-7-16)14-19(21)11-13-22(24)26/h2-10,12,14-15,23,25,27H,11,13H2,1H3,(H2,24,26)
InChIKeyHSVDETVXZLRROB-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.77
Rot. Bonds8

About 3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide

3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide (PubChem CID 139454444) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide.

Molecular Properties

Compound Name3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide
PubChem CID139454444
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide
SMILESCOC(O)Nc1cccc(-c2ccc(-c3ccccc3)cc2CCC(N)=O)c1
InChIInChI=1S/C23H24N2O3/c1-28-23(27)25-20-9-5-8-18(15-20)21-12-10-17(16-6-3-2-4-7-16)14-19(21)11-13-22(24)26/h2-10,12,14-15,23,25,27H,11,13H2,1H3,(H2,24,26)
InChIKeyHSVDETVXZLRROB-UHFFFAOYSA-N
XLogP3.77
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide
CID 122555523
3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide
CID 134208765
CID 159681351
CID 159681351
3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide
CID 122555560
3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide
CID 122555577
3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide
CID 134229810
3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide
CID 67666243
3-[2-(3-methylphenyl)phenyl]propanamide
CID 155236567
3-[5-(furan-3-yl)-2-(3-hydroxyphenyl)phenyl]propanamide
CID 122539333
3-[3-(3-amino-3-oxopropyl)-4-(3-hydroxyphenyl)phenyl]benzoic acid;3-[5-(4-aminophenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[5-(4-fluorophenyl)-2-(3-hydroxyphenyl)phenyl]propanamide;3-[2-(3-hydroxyphenyl)-5-(3-methylphenyl)phenyl]propanamide
CID 159268536
3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide
CID 122555553
3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide
CID 134208666

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide?
The IUPAC name of 3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide (CID 139454444) is 3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide.
What is the SMILES notation for 3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide?
The canonical SMILES for 3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide is COC(O)Nc1cccc(-c2ccc(-c3ccccc3)cc2CCC(N)=O)c1.
What is the InChIKey of 3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide?
The InChIKey is HSVDETVXZLRROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-28-23(27)25-20-9-5-8-18(15-20)21-12-10-17(16-6-3-2-4-7-16)14-19(21)11-13-22(24)26/h2-10,12,14-15,23,25,27H,11,13H2,1H3,(H2,24,26).
What are the key properties of 3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide?
3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide has a molecular weight of 376.46 g/mol, XLogP of 3.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide is sourced from PubChem (CID 139454444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).