N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide

C26H33N3O4 — CID 42727606

IUPACN-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide
SMILESCCCn1c(C(CC)N(CCCOC)C(=O)COc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C26H33N3O4/c1-4-16-29-25(27-22-15-10-9-14-21(22)26(29)31)23(5-2)28(17-11-18-32-3)24(30)19-33-20-12-7-6-8-13-20/h6-10,12-15,23H,4-5,11,16-19H2,1-3H3
InChIKeyRSQOUIANPKRMEP-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.20
Rot. Bonds12

About N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide

N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide (PubChem CID 42727606) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide
PubChem CID42727606
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC NameN-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide
SMILESCCCn1c(C(CC)N(CCCOC)C(=O)COc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C26H33N3O4/c1-4-16-29-25(27-22-15-10-9-14-21(22)26(29)31)23(5-2)28(17-11-18-32-3)24(30)19-33-20-12-7-6-8-13-20/h6-10,12-15,23H,4-5,11,16-19H2,1-3H3
InChIKeyRSQOUIANPKRMEP-UHFFFAOYSA-N
XLogP4.20
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-propylquinazolin-2-yl)propyl]-3-phenylpropanamide
CID 42727609
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2-phenylmethoxyacetamide
CID 42728200
4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide
CID 5141627
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]pentanamide
CID 42713712
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenoxyacetamide
CID 42713207
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide
CID 42713720
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide
CID 42713415
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenoxyacetamide
CID 4688416
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)hexanamide
CID 42728546
N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42713390
N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 42711517

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide?
The IUPAC name of N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide (CID 42727606) is N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide?
The canonical SMILES for N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide is CCCn1c(C(CC)N(CCCOC)C(=O)COc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide?
The InChIKey is RSQOUIANPKRMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-4-16-29-25(27-22-15-10-9-14-21(22)26(29)31)23(5-2)28(17-11-18-32-3)24(30)19-33-20-12-7-6-8-13-20/h6-10,12-15,23H,4-5,11,16-19H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide?
N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide has a molecular weight of 451.57 g/mol, XLogP of 4.20, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide is sourced from PubChem (CID 42727606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).