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

C29H39N3O3 — CID 5141627

IUPAC4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide
SMILESCCCCc1ccc(C(=O)N(CCCOC)C(CC)c2nc3ccccc3c(=O)n2CCC)cc1
InChIInChI=1S/C29H39N3O3/c1-5-8-12-22-15-17-23(18-16-22)28(33)31(20-11-21-35-4)26(7-3)27-30-25-14-10-9-13-24(25)29(34)32(27)19-6-2/h9-10,13-18,26H,5-8,11-12,19-21H2,1-4H3
InChIKeyULPNLASHHXTYNU-UHFFFAOYSA-N
MW477.65 g/mol
LogP5.78
Rot. Bonds13

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

4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide (PubChem CID 5141627) has the molecular formula C29H39N3O3 and a molecular weight of 477.65 g/mol. Its IUPAC name is 4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide.

Molecular Properties

Compound Name4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide
PubChem CID5141627
Molecular FormulaC29H39N3O3
Molecular Weight477.65 g/mol
Exact Mass477.30
IUPAC Name4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide
SMILESCCCCc1ccc(C(=O)N(CCCOC)C(CC)c2nc3ccccc3c(=O)n2CCC)cc1
InChIInChI=1S/C29H39N3O3/c1-5-8-12-22-15-17-23(18-16-22)28(33)31(20-11-21-35-4)26(7-3)27-30-25-14-10-9-13-24(25)29(34)32(27)19-6-2/h9-10,13-18,26H,5-8,11-12,19-21H2,1-4H3
InChIKeyULPNLASHHXTYNU-UHFFFAOYSA-N
XLogP5.78
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 55.78
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-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide
CID 42712106
N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide
CID 42727609
N-(3-methoxypropyl)-3-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]butanamide
CID 42727625
4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide
CID 7412483
N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide
CID 42727606
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide
CID 42717635
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]pentanamide
CID 42713712
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2-phenylmethoxyacetamide
CID 42728200
4-butyl-N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)benzamide
CID 4018522
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-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42713661

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide?
The IUPAC name of 4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide (CID 5141627) is 4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide.
What is the SMILES notation for 4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide?
The canonical SMILES for 4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide is CCCCc1ccc(C(=O)N(CCCOC)C(CC)c2nc3ccccc3c(=O)n2CCC)cc1.
What is the InChIKey of 4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide?
The InChIKey is ULPNLASHHXTYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O3/c1-5-8-12-22-15-17-23(18-16-22)28(33)31(20-11-21-35-4)26(7-3)27-30-25-14-10-9-13-24(25)29(34)32(27)19-6-2/h9-10,13-18,26H,5-8,11-12,19-21H2,1-4H3.
What are the key properties of 4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide?
4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide has a molecular weight of 477.65 g/mol, XLogP of 5.78, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]benzamide is sourced from PubChem (CID 5141627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).