2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide

C14H17N3O4 — CID 108922770

IUPAC2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide
SMILESCOCCOCC(=O)Nc1cccc(NC(=O)CC#N)c1
InChIInChI=1S/C14H17N3O4/c1-20-7-8-21-10-14(19)17-12-4-2-3-11(9-12)16-13(18)5-6-15/h2-4,9H,5,7-8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyHJCSMSAWLVGZAB-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.14
Rot. Bonds8

About 2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide

2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide (PubChem CID 108922770) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide
PubChem CID108922770
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide
SMILESCOCCOCC(=O)Nc1cccc(NC(=O)CC#N)c1
InChIInChI=1S/C14H17N3O4/c1-20-7-8-21-10-14(19)17-12-4-2-3-11(9-12)16-13(18)5-6-15/h2-4,9H,5,7-8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyHJCSMSAWLVGZAB-UHFFFAOYSA-N
XLogP1.14
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2-cyanoacetyl)amino]phenyl]-3,5-dimethoxybenzamide
CID 108922675
[3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927894
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]-2-cyanoacetamide
CID 108922706
N-(3-bromophenyl)-2-cyanoacetamide
CID 846049
2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide
CID 168522703
N-[3-[(2-cyanoacetyl)amino]phenyl]-3,4,5-triethoxybenzamide
CID 108922676
2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108922788
2-cyano-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 168520883
N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
CID 79473101
2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
CID 168520968
N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678314

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide (CID 108922770) is 2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide is COCCOCC(=O)Nc1cccc(NC(=O)CC#N)c1.
What is the InChIKey of 2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide?
The InChIKey is HJCSMSAWLVGZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-20-7-8-21-10-14(19)17-12-4-2-3-11(9-12)16-13(18)5-6-15/h2-4,9H,5,7-8,10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide?
2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide has a molecular weight of 291.31 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 108922770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).