N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide

C26H33N3O3 — CID 42728662

IUPACN-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(CCCOC)C(=O)CC(C)C
InChIInChI=1S/C26H33N3O3/c1-5-23(28(16-11-17-32-4)24(30)18-19(2)3)25-27-22-15-10-9-14-21(22)26(31)29(25)20-12-7-6-8-13-20/h6-10,12-15,19,23H,5,11,16-18H2,1-4H3
InChIKeyOQAZJIXBCMYISA-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.75
Rot. Bonds10

About N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide

N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide (PubChem CID 42728662) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide
PubChem CID42728662
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(CCCOC)C(=O)CC(C)C
InChIInChI=1S/C26H33N3O3/c1-5-23(28(16-11-17-32-4)24(30)18-19(2)3)25-27-22-15-10-9-14-21(22)26(31)29(25)20-12-7-6-8-13-20/h6-10,12-15,19,23H,5,11,16-18H2,1-4H3
InChIKeyOQAZJIXBCMYISA-UHFFFAOYSA-N
XLogP4.75
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide
CID 42716454
N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]butanamide
CID 42727625
N-(3-methoxypropyl)-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-3-phenylprop-2-enamide
CID 3347664
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 42727829
N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide
CID 5141628
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 42728547
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)hexanamide
CID 42728546
N-hexyl-3-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
CID 42719199
N-(3-methoxypropyl)-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42727633
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide
CID 42721102
3-methoxy-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)benzamide
CID 42727836
4-tert-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)benzamide
CID 3962561

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide?
The IUPAC name of N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide (CID 42728662) is N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide?
The canonical SMILES for N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide is CCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(CCCOC)C(=O)CC(C)C.
What is the InChIKey of N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide?
The InChIKey is OQAZJIXBCMYISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-5-23(28(16-11-17-32-4)24(30)18-19(2)3)25-27-22-15-10-9-14-21(22)26(31)29(25)20-12-7-6-8-13-20/h6-10,12-15,19,23H,5,11,16-18H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide?
N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide has a molecular weight of 435.57 g/mol, XLogP of 4.75, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide is sourced from PubChem (CID 42728662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).