N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide

C25H31N3O3 — CID 42712071

IUPACN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide
SMILESCCCN(C(=O)COCc1ccccc1)C(CC)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C25H31N3O3/c1-4-16-28(23(29)18-31-17-19-12-8-7-9-13-19)22(5-2)24-26-21-15-11-10-14-20(21)25(30)27(24)6-3/h7-15,22H,4-6,16-18H2,1-3H3
InChIKeyPQVGUZUUKXGUGU-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.32
Rot. Bonds10

About N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide

N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide (PubChem CID 42712071) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide
PubChem CID42712071
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide
SMILESCCCN(C(=O)COCc1ccccc1)C(CC)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C25H31N3O3/c1-4-16-28(23(29)18-31-17-19-12-8-7-9-13-19)22(5-2)24-26-21-15-11-10-14-20(21)25(30)27(24)6-3/h7-15,22H,4-6,16-18H2,1-3H3
InChIKeyPQVGUZUUKXGUGU-UHFFFAOYSA-N
XLogP4.32
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxyacetamide
CID 42712126
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2-phenylmethoxyacetamide
CID 42728200
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide
CID 42712059
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)-2-phenylmethoxyacetamide
CID 42729114
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylmethoxy-N-propylacetamide
CID 42714065
N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide
CID 42712034
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-hexyl-2-phenylmethoxyacetamide
CID 4314593
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylmethoxyacetamide
CID 42719304
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide
CID 42717022
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-4-fluoro-N-propylbenzamide
CID 42712056
3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712976
N-benzyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-phenylmethoxyacetamide
CID 3247947

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide?
The IUPAC name of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide (CID 42712071) is N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide.
What is the SMILES notation for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide?
The canonical SMILES for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide is CCCN(C(=O)COCc1ccccc1)C(CC)c1nc2ccccc2c(=O)n1CC.
What is the InChIKey of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide?
The InChIKey is PQVGUZUUKXGUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-4-16-28(23(29)18-31-17-19-12-8-7-9-13-19)22(5-2)24-26-21-15-11-10-14-20(21)25(30)27(24)6-3/h7-15,22H,4-6,16-18H2,1-3H3.
What are the key properties of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide?
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide has a molecular weight of 421.54 g/mol, XLogP of 4.32, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide is sourced from PubChem (CID 42712071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).