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

C21H23NO3 — CID 156858812

IUPACN,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)prop-2-enamide
SMILESCC1(C=CC(=O)N(Cc2ccccc2)Cc2ccccc2)OCCO1
InChIInChI=1S/C21H23NO3/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/h2-13H,14-17H2,1H3
InChIKeyMGRRYGXORVDKCV-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.53
Rot. Bonds6

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

N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)prop-2-enamide (PubChem CID 156858812) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)prop-2-enamide
PubChem CID156858812
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC NameN,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)prop-2-enamide
SMILESCC1(C=CC(=O)N(Cc2ccccc2)Cc2ccccc2)OCCO1
InChIInChI=1S/C21H23NO3/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/h2-13H,14-17H2,1H3
InChIKeyMGRRYGXORVDKCV-UHFFFAOYSA-N
XLogP3.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)prop-2-enamide?
The IUPAC name of N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)prop-2-enamide (CID 156858812) is N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)prop-2-enamide.
What is the SMILES notation for N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)prop-2-enamide?
The canonical SMILES for N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)prop-2-enamide is CC1(C=CC(=O)N(Cc2ccccc2)Cc2ccccc2)OCCO1.
What is the InChIKey of N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)prop-2-enamide?
The InChIKey is MGRRYGXORVDKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/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/h2-13H,14-17H2,1H3.
What are the key properties of N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)prop-2-enamide?
N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)prop-2-enamide has a molecular weight of 337.42 g/mol, XLogP of 3.53, 6 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)prop-2-enamide is sourced from PubChem (CID 156858812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).