2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide

C18H21N3O3 — CID 21370420

IUPAC2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
SMILESC=CCn1cc(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc21
InChIInChI=1S/C18H21N3O3/c1-3-8-21-13-14(15-6-4-5-7-16(15)21)12-19-20-17(22)11-18(2)23-9-10-24-18/h3-7,12-13H,1,8-11H2,2H3,(H,20,22)/b19-12+
InChIKeyMKBJFGUVGMTSQV-XDHOZWIPSA-N
MW327.38 g/mol
LogP2.43
Rot. Bonds6

About 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide

2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide (PubChem CID 21370420) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
PubChem CID21370420
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
SMILESC=CCn1cc(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc21
InChIInChI=1S/C18H21N3O3/c1-3-8-21-13-14(15-6-4-5-7-16(15)21)12-19-20-17(22)11-18(2)23-9-10-24-18/h3-7,12-13H,1,8-11H2,2H3,(H,20,22)/b19-12+
InChIKeyMKBJFGUVGMTSQV-XDHOZWIPSA-N
XLogP2.43
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide (CID 21370420) is 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide is C=CCn1cc(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc21.
What is the InChIKey of 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
The InChIKey is MKBJFGUVGMTSQV-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-8-21-13-14(15-6-4-5-7-16(15)21)12-19-20-17(22)11-18(2)23-9-10-24-18/h3-7,12-13H,1,8-11H2,2H3,(H,20,22)/b19-12+.
What are the key properties of 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide?
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 21370420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).