N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide

C26H33N3O2 — CID 42712013

IUPACN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N(CC(C)C)C(=O)CCc1ccccc1
InChIInChI=1S/C26H33N3O2/c1-5-23(25-27-22-15-11-10-14-21(22)26(31)28(25)6-2)29(18-19(3)4)24(30)17-16-20-12-8-7-9-13-20/h7-15,19,23H,5-6,16-18H2,1-4H3
InChIKeyJEEHJBYJVLNSDX-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.98
Rot. Bonds9

About N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide

N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide (PubChem CID 42712013) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide
PubChem CID42712013
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N(CC(C)C)C(=O)CCc1ccccc1
InChIInChI=1S/C26H33N3O2/c1-5-23(25-27-22-15-11-10-14-21(22)26(31)28(25)6-2)29(18-19(3)4)24(30)17-16-20-12-8-7-9-13-20/h7-15,19,23H,5-6,16-18H2,1-4H3
InChIKeyJEEHJBYJVLNSDX-UHFFFAOYSA-N
XLogP4.98
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 42713459
N-(3-methoxypropyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]-3-phenylpropanamide
CID 42727609
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide
CID 42712059
N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide
CID 42712034
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide
CID 3987669
N-ethyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxyacetamide
CID 42712126
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 42718068
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]-2-phenylmethoxy-N-propylacetamide
CID 42712071
3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712976

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide?
The IUPAC name of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide (CID 42712013) is N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide.
What is the SMILES notation for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide?
The canonical SMILES for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide is CCC(c1nc2ccccc2c(=O)n1CC)N(CC(C)C)C(=O)CCc1ccccc1.
What is the InChIKey of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide?
The InChIKey is JEEHJBYJVLNSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-5-23(25-27-22-15-11-10-14-21(22)26(31)28(25)6-2)29(18-19(3)4)24(30)17-16-20-12-8-7-9-13-20/h7-15,19,23H,5-6,16-18H2,1-4H3.
What are the key properties of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide?
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide has a molecular weight of 419.57 g/mol, XLogP of 4.98, 9 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-(2-methylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 42712013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).