N,N-dibenzyl-2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetamide

C24H28N2O3 — CID 22415344

IUPACN,N-dibenzyl-2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetamide
SMILESCC1(C)OC(CC#N)CC(CC(=O)N(Cc2ccccc2)Cc2ccccc2)O1
InChIInChI=1S/C24H28N2O3/c1-24(2)28-21(13-14-25)15-22(29-24)16-23(27)26(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-12,21-22H,13,15-18H2,1-2H3
InChIKeyHBBDNWBNKMBENR-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.43
Rot. Bonds7

About N,N-dibenzyl-2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetamide

N,N-dibenzyl-2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetamide (PubChem CID 22415344) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N,N-dibenzyl-2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetamide
PubChem CID22415344
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN,N-dibenzyl-2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetamide
SMILESCC1(C)OC(CC#N)CC(CC(=O)N(Cc2ccccc2)Cc2ccccc2)O1
InChIInChI=1S/C24H28N2O3/c1-24(2)28-21(13-14-25)15-22(29-24)16-23(27)26(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-12,21-22H,13,15-18H2,1-2H3
InChIKeyHBBDNWBNKMBENR-UHFFFAOYSA-N
XLogP4.43
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N-benzyl-N-tert-butylacetamide
CID 23499831
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide
CID 66429565
N,N-dibenzyl-2-(1-methylpiperidin-4-yl)acetamide
CID 99969717
N-benzyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide
CID 70506294
N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide
CID 54786502
N,N-dibenzyl-2-piperidin-4-ylacetamide
CID 119669950
N-benzyl-2-cyano-N-ethylacetamide
CID 28983811
2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]-N,N-diethylacetamide
CID 54218223
N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide
CID 80662251
2-[(4R,6S)-6-benzyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 135083223
2-[(4R,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]acetonitrile
CID 10867228

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetamide?
The IUPAC name of N,N-dibenzyl-2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetamide (CID 22415344) is N,N-dibenzyl-2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetamide.
What is the SMILES notation for N,N-dibenzyl-2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetamide?
The canonical SMILES for N,N-dibenzyl-2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetamide is CC1(C)OC(CC#N)CC(CC(=O)N(Cc2ccccc2)Cc2ccccc2)O1.
What is the InChIKey of N,N-dibenzyl-2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetamide?
The InChIKey is HBBDNWBNKMBENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-24(2)28-21(13-14-25)15-22(29-24)16-23(27)26(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-12,21-22H,13,15-18H2,1-2H3.
What are the key properties of N,N-dibenzyl-2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetamide?
N,N-dibenzyl-2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetamide has a molecular weight of 392.50 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetamide is sourced from PubChem (CID 22415344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).