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

C18H19N3O3 — CID 21370421

IUPAC2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
SMILESC#CCn1cc(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc21
InChIInChI=1S/C18H19N3O3/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/h1,4-7,12-13H,8-11H2,2H3,(H,20,22)/b19-12+
InChIKeyKNWZXQHAJPQPRG-XDHOZWIPSA-N
MW325.37 g/mol
LogP1.88
Rot. Bonds5

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

2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide (PubChem CID 21370421) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
PubChem CID21370421
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
SMILESC#CCn1cc(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc21
InChIInChI=1S/C18H19N3O3/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/h1,4-7,12-13H,8-11H2,2H3,(H,20,22)/b19-12+
InChIKeyKNWZXQHAJPQPRG-XDHOZWIPSA-N
XLogP1.88
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 21370420
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(Z)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 5427695
2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 126364361
2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide
CID 126378231
2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 126395143
N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide
CID 126184329
5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]-N-[(1-prop-2-ynylindol-3-yl)methylideneamino]furan-2-carboxamide
CID 3880892
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5392256
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(5-nitro-2-prop-2-ynoxyphenyl)methylideneamino]acetamide
CID 21370418
[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 5394099
methyl 4-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]hydrazinylidene]methyl]benzoate
CID 762041

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide (CID 21370421) is 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-ynylindol-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-ynylindol-3-yl)methylideneamino]acetamide?
The InChIKey is KNWZXQHAJPQPRG-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19N3O3/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/h1,4-7,12-13H,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-ynylindol-3-yl)methylideneamino]acetamide?
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide has a molecular weight of 325.37 g/mol, XLogP of 1.88, 5 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-ynylindol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 21370421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).