acetylene;N-[(4E,5E)-4,5-di(ethylidene)-2-(4-methoxyphenyl)-1H-pyrrol-3-yl]acetamide

C19H22N2O2 — CID 143870425

IUPACacetylene;N-[(4E,5E)-4,5-di(ethylidene)-2-(4-methoxyphenyl)-1H-pyrrol-3-yl]acetamide
SMILESC#C.C/C=c1/c(NC(C)=O)c(-c2ccc(OC)cc2)[nH]/c1=C/C
InChIInChI=1S/C17H20N2O2.C2H2/c1-5-14-15(6-2)19-16(17(14)18-11(3)20)12-7-9-13(21-4)10-8-12;1-2/h5-10,19H,1-4H3,(H,18,20);1-2H/b14-5+,15-6+;
InChIKeyIWSMFYPAUKORIK-MCOMNPAFSA-N
MW310.40 g/mol
LogP2.50
Rot. Bonds3

About acetylene;N-[(4E,5E)-4,5-di(ethylidene)-2-(4-methoxyphenyl)-1H-pyrrol-3-yl]acetamide

acetylene;N-[(4E,5E)-4,5-di(ethylidene)-2-(4-methoxyphenyl)-1H-pyrrol-3-yl]acetamide (PubChem CID 143870425) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is acetylene;N-[(4E,5E)-4,5-di(ethylidene)-2-(4-methoxyphenyl)-1H-pyrrol-3-yl]acetamide.

Molecular Properties

Compound Nameacetylene;N-[(4E,5E)-4,5-di(ethylidene)-2-(4-methoxyphenyl)-1H-pyrrol-3-yl]acetamide
PubChem CID143870425
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Nameacetylene;N-[(4E,5E)-4,5-di(ethylidene)-2-(4-methoxyphenyl)-1H-pyrrol-3-yl]acetamide
SMILESC#C.C/C=c1/c(NC(C)=O)c(-c2ccc(OC)cc2)[nH]/c1=C/C
InChIInChI=1S/C17H20N2O2.C2H2/c1-5-14-15(6-2)19-16(17(14)18-11(3)20)12-7-9-13(21-4)10-8-12;1-2/h5-10,19H,1-4H3,(H,18,20);1-2H/b14-5+,15-6+;
InChIKeyIWSMFYPAUKORIK-MCOMNPAFSA-N
XLogP2.50
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetylene;N-[(4E,5E)-4,5-di(ethylidene)-2-(4-methoxyphenyl)-1H-pyrrol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-acetamido-3-(4-methoxyphenyl)-6-methylphenyl]-6-(4-methoxyphenyl)-3-methylphenyl]acetamide
CID 25267205
N-[4-(4-methoxyphenyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]acetamide
CID 136815025
N-[2-[2-(4-methoxyphenyl)pyrrol-1-yl]ethyl]acetamide
CID 19095262
N-formyl-4-methoxybenzamide
CID 10856056
N-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]acetamide
CID 90081194
4,5-bis(4-methoxyphenyl)-N-phenyl-1H-imidazole-2-carboxamide
CID 14100144
2-(4-methoxyphenyl)-3-methyl-1H-indol-5-ol
CID 142624936
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260
2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 15990329
N-(4-methoxy-2,6-dimethylphenyl)acetamide
CID 5268765
N-(3-deuterio-4-methoxyphenyl)acetamide
CID 165008373
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543

Frequently Asked Questions

What is the IUPAC name of acetylene;N-[(4E,5E)-4,5-di(ethylidene)-2-(4-methoxyphenyl)-1H-pyrrol-3-yl]acetamide?
The IUPAC name of acetylene;N-[(4E,5E)-4,5-di(ethylidene)-2-(4-methoxyphenyl)-1H-pyrrol-3-yl]acetamide (CID 143870425) is acetylene;N-[(4E,5E)-4,5-di(ethylidene)-2-(4-methoxyphenyl)-1H-pyrrol-3-yl]acetamide.
What is the SMILES notation for acetylene;N-[(4E,5E)-4,5-di(ethylidene)-2-(4-methoxyphenyl)-1H-pyrrol-3-yl]acetamide?
The canonical SMILES for acetylene;N-[(4E,5E)-4,5-di(ethylidene)-2-(4-methoxyphenyl)-1H-pyrrol-3-yl]acetamide is C#C.C/C=c1/c(NC(C)=O)c(-c2ccc(OC)cc2)[nH]/c1=C/C.
What is the InChIKey of acetylene;N-[(4E,5E)-4,5-di(ethylidene)-2-(4-methoxyphenyl)-1H-pyrrol-3-yl]acetamide?
The InChIKey is IWSMFYPAUKORIK-MCOMNPAFSA-N. The full InChI is InChI=1S/C17H20N2O2.C2H2/c1-5-14-15(6-2)19-16(17(14)18-11(3)20)12-7-9-13(21-4)10-8-12;1-2/h5-10,19H,1-4H3,(H,18,20);1-2H/b14-5+,15-6+;.
What are the key properties of acetylene;N-[(4E,5E)-4,5-di(ethylidene)-2-(4-methoxyphenyl)-1H-pyrrol-3-yl]acetamide?
acetylene;N-[(4E,5E)-4,5-di(ethylidene)-2-(4-methoxyphenyl)-1H-pyrrol-3-yl]acetamide has a molecular weight of 310.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N-[(4E,5E)-4,5-di(ethylidene)-2-(4-methoxyphenyl)-1H-pyrrol-3-yl]acetamide is sourced from PubChem (CID 143870425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).