2-amino-N-[4-[(E)-2-(4-ethynylphenyl)ethenyl]phenyl]acetamide;ethane

C20H22N2O — CID 144790256

IUPAC2-amino-N-[4-[(E)-2-(4-ethynylphenyl)ethenyl]phenyl]acetamide;ethane
SMILESC#Cc1ccc(/C=C/c2ccc(NC(=O)CN)cc2)cc1.CC
InChIInChI=1S/C18H16N2O.C2H6/c1-2-14-3-5-15(6-4-14)7-8-16-9-11-17(12-10-16)20-18(21)13-19;1-2/h1,3-12H,13,19H2,(H,20,21);1-2H3/b8-7+;
InChIKeyDWDQXLARTUZHPB-USRGLUTNSA-N
MW306.41 g/mol
LogP3.76
Rot. Bonds4

About 2-amino-N-[4-[(E)-2-(4-ethynylphenyl)ethenyl]phenyl]acetamide;ethane

2-amino-N-[4-[(E)-2-(4-ethynylphenyl)ethenyl]phenyl]acetamide;ethane (PubChem CID 144790256) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-amino-N-[4-[(E)-2-(4-ethynylphenyl)ethenyl]phenyl]acetamide;ethane.

Molecular Properties

Compound Name2-amino-N-[4-[(E)-2-(4-ethynylphenyl)ethenyl]phenyl]acetamide;ethane
PubChem CID144790256
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2-amino-N-[4-[(E)-2-(4-ethynylphenyl)ethenyl]phenyl]acetamide;ethane
SMILESC#Cc1ccc(/C=C/c2ccc(NC(=O)CN)cc2)cc1.CC
InChIInChI=1S/C18H16N2O.C2H6/c1-2-14-3-5-15(6-4-14)7-8-16-9-11-17(12-10-16)20-18(21)13-19;1-2/h1,3-12H,13,19H2,(H,20,21);1-2H3/b8-7+;
InChIKeyDWDQXLARTUZHPB-USRGLUTNSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-ethynylphenyl)acetamide
CID 147225223
N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide
CID 169464977
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
N-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]-2-hydroxyacetamide
CID 125463979
methyl 8-(4-ethynylanilino)-8-oxooctanoate
CID 156793808
2-amino-N-[4-(hydroxymethyl)phenyl]acetamide;ethane
CID 144997622
2-amino-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 43710915
(E)-3-[4-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]prop-2-enoic acid
CID 18690278
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
N-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide
CID 162035650
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
4-(4-ethynylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 89206193

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(E)-2-(4-ethynylphenyl)ethenyl]phenyl]acetamide;ethane?
The IUPAC name of 2-amino-N-[4-[(E)-2-(4-ethynylphenyl)ethenyl]phenyl]acetamide;ethane (CID 144790256) is 2-amino-N-[4-[(E)-2-(4-ethynylphenyl)ethenyl]phenyl]acetamide;ethane.
What is the SMILES notation for 2-amino-N-[4-[(E)-2-(4-ethynylphenyl)ethenyl]phenyl]acetamide;ethane?
The canonical SMILES for 2-amino-N-[4-[(E)-2-(4-ethynylphenyl)ethenyl]phenyl]acetamide;ethane is C#Cc1ccc(/C=C/c2ccc(NC(=O)CN)cc2)cc1.CC.
What is the InChIKey of 2-amino-N-[4-[(E)-2-(4-ethynylphenyl)ethenyl]phenyl]acetamide;ethane?
The InChIKey is DWDQXLARTUZHPB-USRGLUTNSA-N. The full InChI is InChI=1S/C18H16N2O.C2H6/c1-2-14-3-5-15(6-4-14)7-8-16-9-11-17(12-10-16)20-18(21)13-19;1-2/h1,3-12H,13,19H2,(H,20,21);1-2H3/b8-7+;.
What are the key properties of 2-amino-N-[4-[(E)-2-(4-ethynylphenyl)ethenyl]phenyl]acetamide;ethane?
2-amino-N-[4-[(E)-2-(4-ethynylphenyl)ethenyl]phenyl]acetamide;ethane has a molecular weight of 306.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(E)-2-(4-ethynylphenyl)ethenyl]phenyl]acetamide;ethane is sourced from PubChem (CID 144790256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).