N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide

C24H29N3O2 — CID 42717045

IUPACN-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
SMILESCC(C)CCN(C(=O)Cc1ccccc1)C(C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C24H29N3O2/c1-17(2)14-15-27(22(28)16-19-10-6-5-7-11-19)18(3)23-25-21-13-9-8-12-20(21)24(29)26(23)4/h5-13,17-18H,14-16H2,1-4H3
InChIKeyGVIYLPAEDFNOAW-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.11
Rot. Bonds7

About N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide

N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide (PubChem CID 42717045) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
PubChem CID42717045
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
SMILESCC(C)CCN(C(=O)Cc1ccccc1)C(C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C24H29N3O2/c1-17(2)14-15-27(22(28)16-19-10-6-5-7-11-19)18(3)23-25-21-13-9-8-12-20(21)24(29)26(23)4/h5-13,17-18H,14-16H2,1-4H3
InChIKeyGVIYLPAEDFNOAW-UHFFFAOYSA-N
XLogP4.11
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-phenylacetamide
CID 42716765
3-chloro-2,2-dimethyl-N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide
CID 42717051
N-benzyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]propanamide
CID 42711039
N-butyl-N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42711164
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide
CID 42717832
N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide
CID 42711556
N-(2-methoxyethyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42713326
N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide
CID 42711596
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 42717668
N-ethyl-3,3-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide
CID 42711283
N-butyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 42711517
2-chloro-N-(3-methylbutyl)-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide
CID 4559937

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide?
The IUPAC name of N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide (CID 42717045) is N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide is CC(C)CCN(C(=O)Cc1ccccc1)C(C)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide?
The InChIKey is GVIYLPAEDFNOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17(2)14-15-27(22(28)16-19-10-6-5-7-11-19)18(3)23-25-21-13-9-8-12-20(21)24(29)26(23)4/h5-13,17-18H,14-16H2,1-4H3.
What are the key properties of N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide?
N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide has a molecular weight of 391.52 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 42717045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).