(4R,5R)-4-N,5-N-dibenzyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide

C21H24N2O4 — CID 10619025

IUPAC(4R,5R)-4-N,5-N-dibenzyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
SMILESCC1(C)O[C@@H](C(=O)NCc2ccccc2)[C@H](C(=O)NCc2ccccc2)O1
InChIInChI=1S/C21H24N2O4/c1-21(2)26-17(19(24)22-13-15-9-5-3-6-10-15)18(27-21)20(25)23-14-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3,(H,22,24)(H,23,25)/t17-,18-/m1/s1
InChIKeyBGPXLBACWHVXTA-QZTJIDSGSA-N
MW368.43 g/mol
LogP2.14
Rot. Bonds6

About (4R,5R)-4-N,5-N-dibenzyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide

(4R,5R)-4-N,5-N-dibenzyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide (PubChem CID 10619025) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (4R,5R)-4-N,5-N-dibenzyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide.

Molecular Properties

Compound Name(4R,5R)-4-N,5-N-dibenzyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
PubChem CID10619025
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(4R,5R)-4-N,5-N-dibenzyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
SMILESCC1(C)O[C@@H](C(=O)NCc2ccccc2)[C@H](C(=O)NCc2ccccc2)O1
InChIInChI=1S/C21H24N2O4/c1-21(2)26-17(19(24)22-13-15-9-5-3-6-10-15)18(27-21)20(25)23-14-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3,(H,22,24)(H,23,25)/t17-,18-/m1/s1
InChIKeyBGPXLBACWHVXTA-QZTJIDSGSA-N
XLogP2.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R,5R)-4-N,5-N-dibenzyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide with MolForge

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Related Compounds

(1R,5R,6R)-3-benzyl-6-(piperidine-1-carbonyl)-7,8-dioxa-3-azabicyclo[3.2.1]octan-4-one
CID 11359441
(1S,5S,6S)-3-benzyl-6-(piperidine-1-carbonyl)-7,8-dioxa-3-azabicyclo[3.2.1]octan-4-one
CID 45379941
(1R,4S,5R,7R)-3,4-dibenzyl-2-oxo-N-prop-2-ynyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
CID 46229122
(1R,5R)-3-benzyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
CID 71463142
(-)-N,N'-Dibenzyl-D-tartaric diamide
CID 501436
(1R,4S,5R,7R)-3,4-dibenzyl-N-butyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
CID 46229123
(1R,4S,5R,7R)-3,4-dibenzyl-N-cyclohexyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
CID 46229169
(1R,5R,6R)-3-benzyl-N-[(1S)-1-(hydroxymethyl)-3-methyl-butyl]-4-oxo-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 46229319
(1R,5R,6R)-3-benzyl-N-[(1S)-2-hydroxy-1-methyl-ethyl]-4-oxo-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 46229320
(1S,5S)-3-benzyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
CID 71455975
(1R,5R,6S)-3-benzyl-6-(piperidine-1-carbonyl)-7,8-dioxa-3-azabicyclo[3.2.1]octan-4-one
CID 46228982
(1R,5S,7R)-3-benzyl-N-hydroxy-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
CID 25263502

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-N,5-N-dibenzyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide?
The IUPAC name of (4R,5R)-4-N,5-N-dibenzyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide (CID 10619025) is (4R,5R)-4-N,5-N-dibenzyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide.
What is the SMILES notation for (4R,5R)-4-N,5-N-dibenzyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide?
The canonical SMILES for (4R,5R)-4-N,5-N-dibenzyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide is CC1(C)O[C@@H](C(=O)NCc2ccccc2)[C@H](C(=O)NCc2ccccc2)O1.
What is the InChIKey of (4R,5R)-4-N,5-N-dibenzyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide?
The InChIKey is BGPXLBACWHVXTA-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-21(2)26-17(19(24)22-13-15-9-5-3-6-10-15)18(27-21)20(25)23-14-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3,(H,22,24)(H,23,25)/t17-,18-/m1/s1.
What are the key properties of (4R,5R)-4-N,5-N-dibenzyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide?
(4R,5R)-4-N,5-N-dibenzyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-N,5-N-dibenzyl-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide is sourced from PubChem (CID 10619025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).