N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide

C21H25N3O2 — CID 110666880

IUPACN-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1ccc(N2CCCN(C)C2=O)cc1
InChIInChI=1S/C21H25N3O2/c1-16-6-3-4-7-17(16)8-13-20(25)22-18-9-11-19(12-10-18)24-15-5-14-23(2)21(24)26/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3,(H,22,25)
InChIKeyOBNDZKCCHYHPKN-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.83
Rot. Bonds5

About N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide

N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide (PubChem CID 110666880) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide
PubChem CID110666880
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1ccc(N2CCCN(C)C2=O)cc1
InChIInChI=1S/C21H25N3O2/c1-16-6-3-4-7-17(16)8-13-20(25)22-18-9-11-19(12-10-18)24-15-5-14-23(2)21(24)26/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3,(H,22,25)
InChIKeyOBNDZKCCHYHPKN-UHFFFAOYSA-N
XLogP3.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 110666879
N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 110666893
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(2-methylphenyl)propanamide
CID 110673094
3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 8596314
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methylphenyl)propanamide
CID 110778945
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide
CID 110732701
N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide
CID 110666832
methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]azanium
CID 8791101
1-cyclopentyl-3-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]urea
CID 110666930
3-(2,3-dichlorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 38924388
N-(6-amino-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 62901141
2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983952

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide?
The IUPAC name of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide (CID 110666880) is N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)Nc1ccc(N2CCCN(C)C2=O)cc1.
What is the InChIKey of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide?
The InChIKey is OBNDZKCCHYHPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-6-3-4-7-17(16)8-13-20(25)22-18-9-11-19(12-10-18)24-15-5-14-23(2)21(24)26/h3-4,6-7,9-12H,5,8,13-15H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide?
N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 110666880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).