N,N-diethyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide

C17H23N3O3 — CID 136575875

IUPACN,N-diethyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1C(=O)CC(c2cccc(C)c2)NC1=O
InChIInChI=1S/C17H23N3O3/c1-4-19(5-2)16(22)11-20-15(21)10-14(18-17(20)23)13-8-6-7-12(3)9-13/h6-9,14H,4-5,10-11H2,1-3H3,(H,18,23)
InChIKeyJMSNRTZFHPOBLP-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.85
Rot. Bonds5

About N,N-diethyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide

N,N-diethyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide (PubChem CID 136575875) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide
PubChem CID136575875
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN,N-diethyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1C(=O)CC(c2cccc(C)c2)NC1=O
InChIInChI=1S/C17H23N3O3/c1-4-19(5-2)16(22)11-20-15(21)10-14(18-17(20)23)13-8-6-7-12(3)9-13/h6-9,14H,4-5,10-11H2,1-3H3,(H,18,23)
InChIKeyJMSNRTZFHPOBLP-UHFFFAOYSA-N
XLogP1.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide (CID 136575875) is N,N-diethyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide is CCN(CC)C(=O)CN1C(=O)CC(c2cccc(C)c2)NC1=O.
What is the InChIKey of N,N-diethyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide?
The InChIKey is JMSNRTZFHPOBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-19(5-2)16(22)11-20-15(21)10-14(18-17(20)23)13-8-6-7-12(3)9-13/h6-9,14H,4-5,10-11H2,1-3H3,(H,18,23).
What are the key properties of N,N-diethyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide?
N,N-diethyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(3-methylphenyl)-2,6-dioxo-1,3-diazinan-1-yl]acetamide is sourced from PubChem (CID 136575875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).