N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide

C21H31N3O2 — CID 42717022

IUPACN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide
SMILESCCC(=O)N(CCC(C)C)C(CC)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C21H31N3O2/c1-6-18(24(19(25)7-2)14-13-15(4)5)20-22-17-12-10-9-11-16(17)21(26)23(20)8-3/h9-12,15,18H,6-8,13-14H2,1-5H3
InChIKeyNJFPTFMLOONITA-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.15
Rot. Bonds8

About N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide

N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide (PubChem CID 42717022) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide
PubChem CID42717022
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide
SMILESCCC(=O)N(CCC(C)C)C(CC)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C21H31N3O2/c1-6-18(24(19(25)7-2)14-13-15(4)5)20-22-17-12-10-9-11-16(17)21(26)23(20)8-3/h9-12,15,18H,6-8,13-14H2,1-5H3
InChIKeyNJFPTFMLOONITA-UHFFFAOYSA-N
XLogP4.15
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide
CID 42717035
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 42712013
N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide
CID 42712034
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide
CID 42712059
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 42717668
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide
CID 42712071
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]-4-fluoro-N-propylbenzamide
CID 42712056
3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712976
N-ethyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxyacetamide
CID 42712126
N-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-methyl-N-(3-methylbutyl)butanamide
CID 42721102

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide?
The IUPAC name of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide (CID 42717022) is N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide is CCC(=O)N(CCC(C)C)C(CC)c1nc2ccccc2c(=O)n1CC.
What is the InChIKey of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide?
The InChIKey is NJFPTFMLOONITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-6-18(24(19(25)7-2)14-13-15(4)5)20-22-17-12-10-9-11-16(17)21(26)23(20)8-3/h9-12,15,18H,6-8,13-14H2,1-5H3.
What are the key properties of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide?
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide has a molecular weight of 357.50 g/mol, XLogP of 4.15, 8 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)propyl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 42717022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).