acetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide

C23H24N2O3 — CID 161125669

IUPACacetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESC#C.CC=O.Cc1ccc(CNC(=O)Cn2cc(C=O)c3ccccc32)cc1
InChIInChI=1S/C19H18N2O2.C2H4O.C2H2/c1-14-6-8-15(9-7-14)10-20-19(23)12-21-11-16(13-22)17-4-2-3-5-18(17)21;1-2-3;1-2/h2-9,11,13H,10,12H2,1H3,(H,20,23);2H,1H3;1-2H
InChIKeyULNHNQVNCNBJOU-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.53
Rot. Bonds5

About acetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide

acetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 161125669) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is acetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Nameacetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID161125669
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Nameacetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESC#C.CC=O.Cc1ccc(CNC(=O)Cn2cc(C=O)c3ccccc32)cc1
InChIInChI=1S/C19H18N2O2.C2H4O.C2H2/c1-14-6-8-15(9-7-14)10-20-19(23)12-21-11-16(13-22)17-4-2-3-5-18(17)21;1-2-3;1-2/h2-9,11,13H,10,12H2,1H3,(H,20,23);2H,1H3;1-2H
InChIKeyULNHNQVNCNBJOU-UHFFFAOYSA-N
XLogP3.53
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methylphenyl)-2-oxoethyl]indole-3-carbaldehyde
CID 176509047
2-(3-formylindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 804447
N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858691
N-(2-fluoro-5-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 954284
N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858697
N-butan-2-yl-2-(3-formylindol-1-yl)acetamide
CID 4255967
2-(3-formylindol-1-yl)acetate
CID 3544186
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583
N-[(2-chloro-4-fluorophenyl)methyl]-2-(3-formylindol-1-yl)acetamide
CID 46858698
N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858687
N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 5077099
methyl 2-(3-formyl-4-oxoquinolin-1-yl)acetate
CID 155388733

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of acetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 161125669) is acetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for acetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for acetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide is C#C.CC=O.Cc1ccc(CNC(=O)Cn2cc(C=O)c3ccccc32)cc1.
What is the InChIKey of acetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is ULNHNQVNCNBJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2.C2H4O.C2H2/c1-14-6-8-15(9-7-14)10-20-19(23)12-21-11-16(13-22)17-4-2-3-5-18(17)21;1-2-3;1-2/h2-9,11,13H,10,12H2,1H3,(H,20,23);2H,1H3;1-2H.
What are the key properties of acetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide?
acetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 161125669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).