N-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopropanecarboxamide

C23H27N3O3 — CID 46070368

IUPACN-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopropanecarboxamide
SMILESCOc1cccc(CN2CCCN(c3ccc(C)cc3NC(=O)C3CC3)C2=O)c1
InChIInChI=1S/C23H27N3O3/c1-16-7-10-21(20(13-16)24-22(27)18-8-9-18)26-12-4-11-25(23(26)28)15-17-5-3-6-19(14-17)29-2/h3,5-7,10,13-14,18H,4,8-9,11-12,15H2,1-2H3,(H,24,27)
InChIKeyBATQDOYRWNCNMW-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.18
Rot. Bonds6

About N-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopropanecarboxamide

N-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopropanecarboxamide (PubChem CID 46070368) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopropanecarboxamide
PubChem CID46070368
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopropanecarboxamide
SMILESCOc1cccc(CN2CCCN(c3ccc(C)cc3NC(=O)C3CC3)C2=O)c1
InChIInChI=1S/C23H27N3O3/c1-16-7-10-21(20(13-16)24-22(27)18-8-9-18)26-12-4-11-25(23(26)28)15-17-5-3-6-19(14-17)29-2/h3,5-7,10,13-14,18H,4,8-9,11-12,15H2,1-2H3,(H,24,27)
InChIKeyBATQDOYRWNCNMW-UHFFFAOYSA-N
XLogP4.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopropanecarboxamide 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

N-[2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopentanecarboxamide
CID 46070254
N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]cyclopropanecarboxamide
CID 42868918
1-(3-chlorophenyl)-3-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]urea
CID 46070813
N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide
CID 46070481
N-[2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3-methoxybenzamide
CID 46070655
N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]benzamide
CID 42868943
N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide
CID 46070487
4-methoxy-N-[5-methyl-2-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]benzamide
CID 46070214
N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]thiophene-2-carboxamide
CID 42868941
3-fluoro-N-[5-methyl-2-[2-oxo-3-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]benzamide
CID 46070442
N-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-4-methoxybenzamide
CID 42868886
benzyl N-[5-methoxy-2-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]carbamate
CID 46071516

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopropanecarboxamide (CID 46070368) is N-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopropanecarboxamide is COc1cccc(CN2CCCN(c3ccc(C)cc3NC(=O)C3CC3)C2=O)c1.
What is the InChIKey of N-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopropanecarboxamide?
The InChIKey is BATQDOYRWNCNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-7-10-21(20(13-16)24-22(27)18-8-9-18)26-12-4-11-25(23(26)28)15-17-5-3-6-19(14-17)29-2/h3,5-7,10,13-14,18H,4,8-9,11-12,15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopropanecarboxamide?
N-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopropanecarboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46070368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).