N-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide

C23H27N3O2 — CID 42868642

IUPACN-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide
SMILESCC(c1ccccc1)N1CCCN(c2ccc(NC(=O)C3CCC3)cc2)C1=O
InChIInChI=1S/C23H27N3O2/c1-17(18-7-3-2-4-8-18)25-15-6-16-26(23(25)28)21-13-11-20(12-14-21)24-22(27)19-9-5-10-19/h2-4,7-8,11-14,17,19H,5-6,9-10,15-16H2,1H3,(H,24,27)
InChIKeyWQHMSDXGNOITAO-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.82
Rot. Bonds5

About N-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide

N-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide (PubChem CID 42868642) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide
PubChem CID42868642
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide
SMILESCC(c1ccccc1)N1CCCN(c2ccc(NC(=O)C3CCC3)cc2)C1=O
InChIInChI=1S/C23H27N3O2/c1-17(18-7-3-2-4-8-18)25-15-6-16-26(23(25)28)21-13-11-20(12-14-21)24-22(27)19-9-5-10-19/h2-4,7-8,11-14,17,19H,5-6,9-10,15-16H2,1H3,(H,24,27)
InChIKeyWQHMSDXGNOITAO-UHFFFAOYSA-N
XLogP4.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide
CID 92999502
2,4-difluoro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide
CID 92999505
4-methyl-3-nitro-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]benzamide
CID 92999493
N-[4-[3-[(2-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide
CID 42868616
1-[5-methyl-2-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]-3-(4-methylphenyl)urea
CID 46070818
(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004802
N-[6-(2-oxo-3-phenylimidazolidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide
CID 53187495
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide
CID 112986213
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 2964380
(3S)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41184848

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide (CID 42868642) is N-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide is CC(c1ccccc1)N1CCCN(c2ccc(NC(=O)C3CCC3)cc2)C1=O.
What is the InChIKey of N-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide?
The InChIKey is WQHMSDXGNOITAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17(18-7-3-2-4-8-18)25-15-6-16-26(23(25)28)21-13-11-20(12-14-21)24-22(27)19-9-5-10-19/h2-4,7-8,11-14,17,19H,5-6,9-10,15-16H2,1H3,(H,24,27).
What are the key properties of N-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide?
N-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-3-(1-phenylethyl)-1,3-diazinan-1-yl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 42868642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).