N-(3-hydroxy-2-phenylpropyl)-3-(2-phenylquinazolin-4-yl)propanamide

C26H25N3O2 — CID 21283668

IUPACN-(3-hydroxy-2-phenylpropyl)-3-(2-phenylquinazolin-4-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)nc2ccccc12)NCC(CO)c1ccccc1
InChIInChI=1S/C26H25N3O2/c30-18-21(19-9-3-1-4-10-19)17-27-25(31)16-15-24-22-13-7-8-14-23(22)28-26(29-24)20-11-5-2-6-12-20/h1-14,21,30H,15-18H2,(H,27,31)
InChIKeyVZAOMFHBRXHIAM-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.12
Rot. Bonds8

About N-(3-hydroxy-2-phenylpropyl)-3-(2-phenylquinazolin-4-yl)propanamide

N-(3-hydroxy-2-phenylpropyl)-3-(2-phenylquinazolin-4-yl)propanamide (PubChem CID 21283668) has the molecular formula C26H25N3O2 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-(3-hydroxy-2-phenylpropyl)-3-(2-phenylquinazolin-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-phenylpropyl)-3-(2-phenylquinazolin-4-yl)propanamide
PubChem CID21283668
Molecular FormulaC26H25N3O2
Molecular Weight411.50 g/mol
Exact Mass411.19
IUPAC NameN-(3-hydroxy-2-phenylpropyl)-3-(2-phenylquinazolin-4-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)nc2ccccc12)NCC(CO)c1ccccc1
InChIInChI=1S/C26H25N3O2/c30-18-21(19-9-3-1-4-10-19)17-27-25(31)16-15-24-22-13-7-8-14-23(22)28-26(29-24)20-11-5-2-6-12-20/h1-14,21,30H,15-18H2,(H,27,31)
InChIKeyVZAOMFHBRXHIAM-UHFFFAOYSA-N
XLogP4.12
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethylsulfanyl-N-[(2S)-3-hydroxy-2-phenylpropyl]propanamide
CID 95973650
N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide
CID 120704917
4-pentyl-2-phenylquinazoline
CID 122226497
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135794841
(2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate
CID 6926985
2-(2-phenylquinazolin-4-yl)-N,N-di(propan-2-yl)acetamide
CID 24956249
N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46512546
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303290
3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 100510503
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 35955679
3-[[N-(3-hydroxy-2-phenylpropyl)-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 109408150
(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol
CID 58919648

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-phenylpropyl)-3-(2-phenylquinazolin-4-yl)propanamide?
The IUPAC name of N-(3-hydroxy-2-phenylpropyl)-3-(2-phenylquinazolin-4-yl)propanamide (CID 21283668) is N-(3-hydroxy-2-phenylpropyl)-3-(2-phenylquinazolin-4-yl)propanamide.
What is the SMILES notation for N-(3-hydroxy-2-phenylpropyl)-3-(2-phenylquinazolin-4-yl)propanamide?
The canonical SMILES for N-(3-hydroxy-2-phenylpropyl)-3-(2-phenylquinazolin-4-yl)propanamide is O=C(CCc1nc(-c2ccccc2)nc2ccccc12)NCC(CO)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-2-phenylpropyl)-3-(2-phenylquinazolin-4-yl)propanamide?
The InChIKey is VZAOMFHBRXHIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c30-18-21(19-9-3-1-4-10-19)17-27-25(31)16-15-24-22-13-7-8-14-23(22)28-26(29-24)20-11-5-2-6-12-20/h1-14,21,30H,15-18H2,(H,27,31).
What are the key properties of N-(3-hydroxy-2-phenylpropyl)-3-(2-phenylquinazolin-4-yl)propanamide?
N-(3-hydroxy-2-phenylpropyl)-3-(2-phenylquinazolin-4-yl)propanamide has a molecular weight of 411.50 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-phenylpropyl)-3-(2-phenylquinazolin-4-yl)propanamide is sourced from PubChem (CID 21283668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).