N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide

C27H35N3O2 — CID 42717832

IUPACN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide
SMILESCCCCC(=O)N(CCC(C)C)C(C)c1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C27H35N3O2/c1-5-6-16-25(31)29(18-17-20(2)3)21(4)26-28-24-15-11-10-14-23(24)27(32)30(26)19-22-12-8-7-9-13-22/h7-15,20-21H,5-6,16-19H2,1-4H3
InChIKeySBPJWSCWYWEQTP-UHFFFAOYSA-N
MW433.60 g/mol
LogP5.57
Rot. Bonds10

About N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide

N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide (PubChem CID 42717832) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide.

Molecular Properties

Compound NameN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide
PubChem CID42717832
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC NameN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide
SMILESCCCCC(=O)N(CCC(C)C)C(C)c1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C27H35N3O2/c1-5-6-16-25(31)29(18-17-20(2)3)21(4)26-28-24-15-11-10-14-23(24)27(32)30(26)19-22-12-8-7-9-13-22/h7-15,20-21H,5-6,16-19H2,1-4H3
InChIKeySBPJWSCWYWEQTP-UHFFFAOYSA-N
XLogP5.57
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)pentanamide
CID 42716734
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylhexanamide
CID 42716783
N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]nonanamide
CID 5030431
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methylbutanamide
CID 42714905
N-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)hexanamide
CID 3513014
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methylpropyl)butanamide
CID 42711613
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 42717668
N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide
CID 42711556
N-(3-methylbutyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42717045
N-hexyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]heptanamide
CID 42711596
1-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-bromophenyl)-1-butylurea
CID 42713867
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-propylfuran-2-carboxamide
CID 42711380

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide?
The IUPAC name of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide (CID 42717832) is N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide.
What is the SMILES notation for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide?
The canonical SMILES for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide is CCCCC(=O)N(CCC(C)C)C(C)c1nc2ccccc2c(=O)n1Cc1ccccc1.
What is the InChIKey of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide?
The InChIKey is SBPJWSCWYWEQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-5-6-16-25(31)29(18-17-20(2)3)21(4)26-28-24-15-11-10-14-23(24)27(32)30(26)19-22-12-8-7-9-13-22/h7-15,20-21H,5-6,16-19H2,1-4H3.
What are the key properties of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide?
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide has a molecular weight of 433.60 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methylbutyl)pentanamide is sourced from PubChem (CID 42717832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).