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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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).