N-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(naphthalen-1-ylmethyl)acetamide

C20H21N3O3 — CID 72878561

IUPACN-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(naphthalen-1-ylmethyl)acetamide
SMILESO=C1CCNC(=O)N1CC(=O)N(Cc1cccc2ccccc12)C1CC1
InChIInChI=1S/C20H21N3O3/c24-18-10-11-21-20(26)23(18)13-19(25)22(16-8-9-16)12-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,16H,8-13H2,(H,21,26)
InChIKeyXNBBKKQBEBFVKK-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.27
Rot. Bonds5

About N-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(naphthalen-1-ylmethyl)acetamide

N-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(naphthalen-1-ylmethyl)acetamide (PubChem CID 72878561) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(naphthalen-1-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(naphthalen-1-ylmethyl)acetamide
PubChem CID72878561
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(naphthalen-1-ylmethyl)acetamide
SMILESO=C1CCNC(=O)N1CC(=O)N(Cc1cccc2ccccc12)C1CC1
InChIInChI=1S/C20H21N3O3/c24-18-10-11-21-20(26)23(18)13-19(25)22(16-8-9-16)12-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,16H,8-13H2,(H,21,26)
InChIKeyXNBBKKQBEBFVKK-UHFFFAOYSA-N
XLogP2.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-cyclopentyl-2-(methylamino)-N-(naphthalen-1-ylmethyl)acetamide;hydrochloride
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2-(2,6-dioxo-1,3-diazinan-1-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 72940877
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N-cyclopropyl-2-(2,5-dioxopyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 47500513
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CID 8572165
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(naphthalen-1-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(naphthalen-1-ylmethyl)acetamide (CID 72878561) is N-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(naphthalen-1-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(naphthalen-1-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(naphthalen-1-ylmethyl)acetamide is O=C1CCNC(=O)N1CC(=O)N(Cc1cccc2ccccc12)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(naphthalen-1-ylmethyl)acetamide?
The InChIKey is XNBBKKQBEBFVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-18-10-11-21-20(26)23(18)13-19(25)22(16-8-9-16)12-15-6-3-5-14-4-1-2-7-17(14)15/h1-7,16H,8-13H2,(H,21,26).
What are the key properties of N-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(naphthalen-1-ylmethyl)acetamide?
N-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(naphthalen-1-ylmethyl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(naphthalen-1-ylmethyl)acetamide is sourced from PubChem (CID 72878561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).