3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea

C28H40N4O2 — CID 5006831

IUPAC3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
SMILESCCCCN(C(=O)NC12CC3CC(CC(C3)C1)C2)C(C)c1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C28H40N4O2/c1-4-6-12-31(27(34)30-28-16-20-13-21(17-28)15-22(14-20)18-28)19(3)25-29-24-10-8-7-9-23(24)26(33)32(25)11-5-2/h7-10,19-22H,4-6,11-18H2,1-3H3,(H,30,34)
InChIKeyQCNPZPGHIHQCLA-UHFFFAOYSA-N
MW464.65 g/mol
LogP5.65
Rot. Bonds8

About 3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea

3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea (PubChem CID 5006831) has the molecular formula C28H40N4O2 and a molecular weight of 464.65 g/mol. Its IUPAC name is 3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea.

Molecular Properties

Compound Name3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
PubChem CID5006831
Molecular FormulaC28H40N4O2
Molecular Weight464.65 g/mol
Exact Mass464.32
IUPAC Name3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
SMILESCCCCN(C(=O)NC12CC3CC(CC(C3)C1)C2)C(C)c1nc2ccccc2c(=O)n1CCC
InChIInChI=1S/C28H40N4O2/c1-4-6-12-31(27(34)30-28-16-20-13-21(17-28)15-22(14-20)18-28)19(3)25-29-24-10-8-7-9-23(24)26(33)32(25)11-5-2/h7-10,19-22H,4-6,11-18H2,1-3H3,(H,30,34)
InChIKeyQCNPZPGHIHQCLA-UHFFFAOYSA-N
XLogP5.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea with MolForge

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Related Compounds

3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713300
1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713309
3-(1-adamantyl)-1-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-1-propylurea
CID 3430612
1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 7301354
1-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-bromophenyl)-1-butylurea
CID 42713867
N-butyl-4-nitro-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
CID 42713290
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide
CID 42713720
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylhexanamide
CID 42716783
3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea
CID 42713772
4-butyl-N-[(1S)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylbenzamide
CID 7412483
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]pentanamide
CID 42713712
N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide
CID 42713266

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea?
The IUPAC name of 3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea (CID 5006831) is 3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea.
What is the SMILES notation for 3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea?
The canonical SMILES for 3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea is CCCCN(C(=O)NC12CC3CC(CC(C3)C1)C2)C(C)c1nc2ccccc2c(=O)n1CCC.
What is the InChIKey of 3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea?
The InChIKey is QCNPZPGHIHQCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O2/c1-4-6-12-31(27(34)30-28-16-20-13-21(17-28)15-22(14-20)18-28)19(3)25-29-24-10-8-7-9-23(24)26(33)32(25)11-5-2/h7-10,19-22H,4-6,11-18H2,1-3H3,(H,30,34).
What are the key properties of 3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea?
3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea has a molecular weight of 464.65 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea is sourced from PubChem (CID 5006831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).