2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide

C20H25N3O4 — CID 91940757

IUPAC2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide
SMILESO=C(CN1C(=O)CCNC1=O)N(CC=Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C20H25N3O4/c24-18-10-11-21-20(26)23(18)15-19(25)22(14-17-9-5-13-27-17)12-4-8-16-6-2-1-3-7-16/h1-4,6-8,17H,5,9-15H2,(H,21,26)
InChIKeyCPFPOHXTXLZSGW-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.65
Rot. Bonds7

About 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide

2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide (PubChem CID 91940757) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide
PubChem CID91940757
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide
SMILESO=C(CN1C(=O)CCNC1=O)N(CC=Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C20H25N3O4/c24-18-10-11-21-20(26)23(18)15-19(25)22(14-17-9-5-13-27-17)12-4-8-16-6-2-1-3-7-16/h1-4,6-8,17H,5,9-15H2,(H,21,26)
InChIKeyCPFPOHXTXLZSGW-UHFFFAOYSA-N
XLogP1.65
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-methylpropyl)pyrazol-3-yl]-1-(oxolan-2-ylmethyl)-1-(3-phenylprop-2-enyl)urea
CID 91939927
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide
CID 91940786
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 72931700
(E)-N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-en-1-amine
CID 7323694
2-cyclopropyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(E)-3-phenylprop-2-enyl]-1H-pyrimidine-5-carboxamide
CID 97143830
2-cyclopropyl-6-oxo-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]-1H-pyrimidine-5-carboxamide
CID 70708734
1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide
CID 74230801
2-(2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 46994502
N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 131949751
3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 125439910
3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 126432973
2-ethyl-4-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]-1,3-thiazole-5-carboxamide
CID 74231482

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide?
The IUPAC name of 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide (CID 91940757) is 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide.
What is the SMILES notation for 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide?
The canonical SMILES for 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide is O=C(CN1C(=O)CCNC1=O)N(CC=Cc1ccccc1)CC1CCCO1.
What is the InChIKey of 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide?
The InChIKey is CPFPOHXTXLZSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c24-18-10-11-21-20(26)23(18)15-19(25)22(14-17-9-5-13-27-17)12-4-8-16-6-2-1-3-7-16/h1-4,6-8,17H,5,9-15H2,(H,21,26).
What are the key properties of 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide?
2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide is sourced from PubChem (CID 91940757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).