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

C27H35N3O3 — CID 42727609

IUPACN-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide
SMILESCCCn1c(C(CC)N(CCCOC)C(=O)CCc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C27H35N3O3/c1-4-18-30-26(28-23-15-10-9-14-22(23)27(30)32)24(5-2)29(19-11-20-33-3)25(31)17-16-21-12-7-6-8-13-21/h6-10,12-15,24H,4-5,11,16-20H2,1-3H3
InChIKeyVXKGCROUJMXDOL-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.76
Rot. Bonds12

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

N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide (PubChem CID 42727609) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide
PubChem CID42727609
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC NameN-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide
SMILESCCCn1c(C(CC)N(CCCOC)C(=O)CCc2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C27H35N3O3/c1-4-18-30-26(28-23-15-10-9-14-22(23)27(30)32)24(5-2)29(19-11-20-33-3)25(31)17-16-21-12-7-6-8-13-21/h6-10,12-15,24H,4-5,11,16-20H2,1-3H3
InChIKeyVXKGCROUJMXDOL-UHFFFAOYSA-N
XLogP4.76
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.76
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-(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]-2-phenoxyacetamide
CID 42727606
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-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-3-phenylpropanamide
CID 42727829
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2-phenylmethoxyacetamide
CID 42728200
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-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42713390
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 42712013
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 42722703
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 42713459

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide?
The IUPAC name of N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide (CID 42727609) is N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide?
The canonical SMILES for N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide is CCCn1c(C(CC)N(CCCOC)C(=O)CCc2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide?
The InChIKey is VXKGCROUJMXDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-4-18-30-26(28-23-15-10-9-14-22(23)27(30)32)24(5-2)29(19-11-20-33-3)25(31)17-16-21-12-7-6-8-13-21/h6-10,12-15,24H,4-5,11,16-20H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide?
N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide has a molecular weight of 449.60 g/mol, XLogP of 4.76, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide is sourced from PubChem (CID 42727609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).