N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide

C23H27N3O3 — CID 42711517

IUPACN-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
SMILESCCCCN(C(=O)COc1ccccc1)C(C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C23H27N3O3/c1-4-5-15-26(21(27)16-29-18-11-7-6-8-12-18)17(2)22-24-20-14-10-9-13-19(20)23(28)25(22)3/h6-14,17H,4-5,15-16H2,1-3H3
InChIKeyJKJHYNHMWRILKO-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.70
Rot. Bonds8

About N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide

N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide (PubChem CID 42711517) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
PubChem CID42711517
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
SMILESCCCCN(C(=O)COc1ccccc1)C(C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C23H27N3O3/c1-4-5-15-26(21(27)16-29-18-11-7-6-8-12-18)17(2)22-24-20-14-10-9-13-19(20)23(28)25(22)3/h6-14,17H,4-5,15-16H2,1-3H3
InChIKeyJKJHYNHMWRILKO-UHFFFAOYSA-N
XLogP3.70
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide
CID 42711596
N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide
CID 42711556
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-2-phenoxyacetamide
CID 42713207
(2R)-N-butyl-2-ethyl-N-[(1R)-1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]hexanamide
CID 7361866
(E)-N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-phenylprop-2-enamide
CID 42711527
N-butyl-4-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42711515
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-hexyl-2-phenoxyacetamide
CID 42712376
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide
CID 42721390
2-(4-chlorophenoxy)-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]acetamide
CID 42713246
N-butyl-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42721644
N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-2-phenoxyacetamide
CID 42727606
N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42722498

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide (CID 42711517) is N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide is CCCCN(C(=O)COc1ccccc1)C(C)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide?
The InChIKey is JKJHYNHMWRILKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-5-15-26(21(27)16-29-18-11-7-6-8-12-18)17(2)22-24-20-14-10-9-13-19(20)23(28)25(22)3/h6-14,17H,4-5,15-16H2,1-3H3.
What are the key properties of N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide?
N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide has a molecular weight of 393.49 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 42711517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).