N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide

C21H25NO3 — CID 10640829

IUPACN,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide
SMILESCC1(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)OCCO1
InChIInChI=1S/C21H25NO3/c1-21(24-14-15-25-21)13-12-20(23)22(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-11H,12-17H2,1H3
InChIKeyNUPZCYOGFDAXNN-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.76
Rot. Bonds7

About N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide

N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide (PubChem CID 10640829) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide.

Molecular Properties

Compound NameN,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide
PubChem CID10640829
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide
SMILESCC1(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)OCCO1
InChIInChI=1S/C21H25NO3/c1-21(24-14-15-25-21)13-12-20(23)22(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-11H,12-17H2,1H3
InChIKeyNUPZCYOGFDAXNN-UHFFFAOYSA-N
XLogP3.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide?
The IUPAC name of N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide (CID 10640829) is N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide.
What is the SMILES notation for N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide?
The canonical SMILES for N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide is CC1(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)OCCO1.
What is the InChIKey of N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide?
The InChIKey is NUPZCYOGFDAXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-21(24-14-15-25-21)13-12-20(23)22(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-11H,12-17H2,1H3.
What are the key properties of N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide?
N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide has a molecular weight of 339.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide is sourced from PubChem (CID 10640829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).