N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide

C23H35N3O2 — CID 42717668

IUPACN-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide
SMILESCCn1c(C(C)N(CCC(C)C)C(=O)CC(C)(C)C)nc2ccccc2c1=O
InChIInChI=1S/C23H35N3O2/c1-8-25-21(24-19-12-10-9-11-18(19)22(25)28)17(4)26(14-13-16(2)3)20(27)15-23(5,6)7/h9-12,16-17H,8,13-15H2,1-7H3
InChIKeyJOZOGXIIDXIMGU-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.79
Rot. Bonds7

About N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide

N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide (PubChem CID 42717668) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide
PubChem CID42717668
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide
SMILESCCn1c(C(C)N(CCC(C)C)C(=O)CC(C)(C)C)nc2ccccc2c1=O
InChIInChI=1S/C23H35N3O2/c1-8-25-21(24-19-12-10-9-11-18(19)22(25)28)17(4)26(14-13-16(2)3)20(27)15-23(5,6)7/h9-12,16-17H,8,13-15H2,1-7H3
InChIKeyJOZOGXIIDXIMGU-UHFFFAOYSA-N
XLogP4.79
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 42717672
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methylpropyl)butanamide
CID 42711613
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide
CID 42717022
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide
CID 42717832
N-ethyl-3,3-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide
CID 42711283
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylhexanamide
CID 42716783
3-(2,4-difluorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(3-methylbutyl)urea
CID 42717811
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3,3-dimethyl-N-propylbutanamide
CID 42716065
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)pentanamide
CID 42716734
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide
CID 42717035
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3,3-dimethyl-N-propylbutanamide
CID 42720522
N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42717045

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide?
The IUPAC name of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide (CID 42717668) is N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide.
What is the SMILES notation for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide?
The canonical SMILES for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide is CCn1c(C(C)N(CCC(C)C)C(=O)CC(C)(C)C)nc2ccccc2c1=O.
What is the InChIKey of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide?
The InChIKey is JOZOGXIIDXIMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-8-25-21(24-19-12-10-9-11-18(19)22(25)28)17(4)26(14-13-16(2)3)20(27)15-23(5,6)7/h9-12,16-17H,8,13-15H2,1-7H3.
What are the key properties of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide?
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide has a molecular weight of 385.55 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide is sourced from PubChem (CID 42717668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).