2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide

C16H21N3O3 — CID 108924311

IUPAC2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCCNC(=O)CC#N)cc1
InChIInChI=1S/C16H21N3O3/c1-2-22-14-6-4-13(5-7-14)12-16(21)19-11-3-10-18-15(20)8-9-17/h4-7H,2-3,8,10-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyRIZPUTRKOAHNOJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.16
Rot. Bonds9

About 2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide

2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide (PubChem CID 108924311) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide
PubChem CID108924311
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCCNC(=O)CC#N)cc1
InChIInChI=1S/C16H21N3O3/c1-2-22-14-6-4-13(5-7-14)12-16(21)19-11-3-10-18-15(20)8-9-17/h4-7H,2-3,8,10-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyRIZPUTRKOAHNOJ-UHFFFAOYSA-N
XLogP1.16
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624
2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923197
2-cyano-N-[2-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923594
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108573115
ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108573122
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110757113
N-but-3-enyl-2-(4-ethoxyphenyl)acetamide
CID 113466030
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-3-hydroxybenzamide
CID 108541923
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
N-[2-(2-aminoethoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 82354234
2-cyano-N-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923257
N-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide
CID 100569556

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide?
The IUPAC name of 2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide (CID 108924311) is 2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide is CCOc1ccc(CC(=O)NCCCNC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide?
The InChIKey is RIZPUTRKOAHNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-22-14-6-4-13(5-7-14)12-16(21)19-11-3-10-18-15(20)8-9-17/h4-7H,2-3,8,10-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide?
2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide has a molecular weight of 303.36 g/mol, XLogP of 1.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide is sourced from PubChem (CID 108924311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).