2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide

C16H21N3O3 — CID 74925241

IUPAC2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide
SMILESCC1NC(=O)NC(=O)C1CC(=O)NCCCc1ccccc1
InChIInChI=1S/C16H21N3O3/c1-11-13(15(21)19-16(22)18-11)10-14(20)17-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,20)(H2,18,19,21,22)
InChIKeyDITIVORUMWQXCB-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.97
Rot. Bonds6

About 2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide

2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 74925241) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide
PubChem CID74925241
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide
SMILESCC1NC(=O)NC(=O)C1CC(=O)NCCCc1ccccc1
InChIInChI=1S/C16H21N3O3/c1-11-13(15(21)19-16(22)18-11)10-14(20)17-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,20)(H2,18,19,21,22)
InChIKeyDITIVORUMWQXCB-UHFFFAOYSA-N
XLogP0.97
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide
CID 74925233
2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide
CID 110703494
2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 74925297
N-(3-phenylpropyl)-2-piperidin-4-ylacetamide
CID 60905850
2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide
CID 42649517
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride
CID 11517237
2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]-N-(3-phenylpropyl)acetamide
CID 42234728
2-(2-hydroxyethylamino)-N-(3-phenylpropyl)acetamide
CID 163571162
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-(3-phenylpropyl)acetamide
CID 166615612

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide (CID 74925241) is 2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide is CC1NC(=O)NC(=O)C1CC(=O)NCCCc1ccccc1.
What is the InChIKey of 2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is DITIVORUMWQXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-13(15(21)19-16(22)18-11)10-14(20)17-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,20)(H2,18,19,21,22).
What are the key properties of 2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide?
2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 303.36 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 74925241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).