N-(3-acetamidophenyl)-2-(2,6-dioxo-3-propan-2-yl-1,3-diazinan-1-yl)acetamide

C17H22N4O4 — CID 138041339

IUPACN-(3-acetamidophenyl)-2-(2,6-dioxo-3-propan-2-yl-1,3-diazinan-1-yl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN2C(=O)CCN(C(C)C)C2=O)c1
InChIInChI=1S/C17H22N4O4/c1-11(2)20-8-7-16(24)21(17(20)25)10-15(23)19-14-6-4-5-13(9-14)18-12(3)22/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyLSWFRWHFFMMDDH-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.65
Rot. Bonds5

About N-(3-acetamidophenyl)-2-(2,6-dioxo-3-propan-2-yl-1,3-diazinan-1-yl)acetamide

N-(3-acetamidophenyl)-2-(2,6-dioxo-3-propan-2-yl-1,3-diazinan-1-yl)acetamide (PubChem CID 138041339) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(2,6-dioxo-3-propan-2-yl-1,3-diazinan-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(2,6-dioxo-3-propan-2-yl-1,3-diazinan-1-yl)acetamide
PubChem CID138041339
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-(3-acetamidophenyl)-2-(2,6-dioxo-3-propan-2-yl-1,3-diazinan-1-yl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN2C(=O)CCN(C(C)C)C2=O)c1
InChIInChI=1S/C17H22N4O4/c1-11(2)20-8-7-16(24)21(17(20)25)10-15(23)19-14-6-4-5-13(9-14)18-12(3)22/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyLSWFRWHFFMMDDH-UHFFFAOYSA-N
XLogP1.65
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 45366461
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7609681
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7170143
N-(3-acetamidophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850065
N-(3-bromophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8014767
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-(3-methylsulfonylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 8988510
N-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 126420480
3-ethyl-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 60644815
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112779001
N-(3-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9095755
acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
CID 174839462

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(2,6-dioxo-3-propan-2-yl-1,3-diazinan-1-yl)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(2,6-dioxo-3-propan-2-yl-1,3-diazinan-1-yl)acetamide (CID 138041339) is N-(3-acetamidophenyl)-2-(2,6-dioxo-3-propan-2-yl-1,3-diazinan-1-yl)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(2,6-dioxo-3-propan-2-yl-1,3-diazinan-1-yl)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(2,6-dioxo-3-propan-2-yl-1,3-diazinan-1-yl)acetamide is CC(=O)Nc1cccc(NC(=O)CN2C(=O)CCN(C(C)C)C2=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(2,6-dioxo-3-propan-2-yl-1,3-diazinan-1-yl)acetamide?
The InChIKey is LSWFRWHFFMMDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-11(2)20-8-7-16(24)21(17(20)25)10-15(23)19-14-6-4-5-13(9-14)18-12(3)22/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N-(3-acetamidophenyl)-2-(2,6-dioxo-3-propan-2-yl-1,3-diazinan-1-yl)acetamide?
N-(3-acetamidophenyl)-2-(2,6-dioxo-3-propan-2-yl-1,3-diazinan-1-yl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(2,6-dioxo-3-propan-2-yl-1,3-diazinan-1-yl)acetamide is sourced from PubChem (CID 138041339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).