3-[2-(N-methylanilino)ethyl]-6-phenyl-1,3-diazinane-2,4-dione

C19H21N3O2 — CID 155956821

IUPAC3-[2-(N-methylanilino)ethyl]-6-phenyl-1,3-diazinane-2,4-dione
SMILESCN(CCN1C(=O)CC(c2ccccc2)NC1=O)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-21(16-10-6-3-7-11-16)12-13-22-18(23)14-17(20-19(22)24)15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,20,24)
InChIKeyKJUINWYLJHELNJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.81
Rot. Bonds5

About 3-[2-(N-methylanilino)ethyl]-6-phenyl-1,3-diazinane-2,4-dione

3-[2-(N-methylanilino)ethyl]-6-phenyl-1,3-diazinane-2,4-dione (PubChem CID 155956821) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[2-(N-methylanilino)ethyl]-6-phenyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-[2-(N-methylanilino)ethyl]-6-phenyl-1,3-diazinane-2,4-dione
PubChem CID155956821
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-[2-(N-methylanilino)ethyl]-6-phenyl-1,3-diazinane-2,4-dione
SMILESCN(CCN1C(=O)CC(c2ccccc2)NC1=O)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-21(16-10-6-3-7-11-16)12-13-22-18(23)14-17(20-19(22)24)15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,20,24)
InChIKeyKJUINWYLJHELNJ-UHFFFAOYSA-N
XLogP2.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione
CID 10515936
6-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
CID 59370437
(3aR,6aR)-4-[2-(N-methylanilino)ethyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one;formic acid
CID 154920039
N-benzyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide
CID 46044295
6-(4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-2,4-dione
CID 154846556
N,N-diethyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide
CID 136575875
[1-[4-(N-methylanilino)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672929
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione
CID 19438633
(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 119913957
(4S,7S,14S,17S)-4,14-diphenyl-1,5,11,15-tetrazatricyclo[15.3.0.07,11]icosane-2,6,12,16-tetrone
CID 163071626
1-[4-(N-methylanilino)butyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711332

Frequently Asked Questions

What is the IUPAC name of 3-[2-(N-methylanilino)ethyl]-6-phenyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-[2-(N-methylanilino)ethyl]-6-phenyl-1,3-diazinane-2,4-dione (CID 155956821) is 3-[2-(N-methylanilino)ethyl]-6-phenyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-[2-(N-methylanilino)ethyl]-6-phenyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-[2-(N-methylanilino)ethyl]-6-phenyl-1,3-diazinane-2,4-dione is CN(CCN1C(=O)CC(c2ccccc2)NC1=O)c1ccccc1.
What is the InChIKey of 3-[2-(N-methylanilino)ethyl]-6-phenyl-1,3-diazinane-2,4-dione?
The InChIKey is KJUINWYLJHELNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-21(16-10-6-3-7-11-16)12-13-22-18(23)14-17(20-19(22)24)15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,20,24).
What are the key properties of 3-[2-(N-methylanilino)ethyl]-6-phenyl-1,3-diazinane-2,4-dione?
3-[2-(N-methylanilino)ethyl]-6-phenyl-1,3-diazinane-2,4-dione has a molecular weight of 323.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(N-methylanilino)ethyl]-6-phenyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 155956821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).