N-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide

C14H18N4O3 — CID 135273268

IUPACN-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCCN1C(=O)CCNC1=O
InChIInChI=1S/C14H18N4O3/c1-15-11-5-3-2-4-10(11)13(20)16-8-9-18-12(19)6-7-17-14(18)21/h2-5,15H,6-9H2,1H3,(H,16,20)(H,17,21)
InChIKeyXBZPRBLRGAMSJY-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.40
Rot. Bonds5

About N-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide

N-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide (PubChem CID 135273268) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide
PubChem CID135273268
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCCN1C(=O)CCNC1=O
InChIInChI=1S/C14H18N4O3/c1-15-11-5-3-2-4-10(11)13(20)16-8-9-18-12(19)6-7-17-14(18)21/h2-5,15H,6-9H2,1H3,(H,16,20)(H,17,21)
InChIKeyXBZPRBLRGAMSJY-UHFFFAOYSA-N
XLogP0.40
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide?
The IUPAC name of N-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide (CID 135273268) is N-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide.
What is the SMILES notation for N-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide?
The canonical SMILES for N-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide is CNc1ccccc1C(=O)NCCN1C(=O)CCNC1=O.
What is the InChIKey of N-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide?
The InChIKey is XBZPRBLRGAMSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-15-11-5-3-2-4-10(11)13(20)16-8-9-18-12(19)6-7-17-14(18)21/h2-5,15H,6-9H2,1H3,(H,16,20)(H,17,21).
What are the key properties of N-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide?
N-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide has a molecular weight of 290.32 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxo-1,3-diazinan-1-yl)ethyl]-2-(methylamino)benzamide is sourced from PubChem (CID 135273268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).