2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide

C12H15N3O — CID 65349832

IUPAC2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide
SMILESN#CCCCNC(=O)Cc1cccc(N)c1
InChIInChI=1S/C12H15N3O/c13-6-1-2-7-15-12(16)9-10-4-3-5-11(14)8-10/h3-5,8H,1-2,7,9,14H2,(H,15,16)
InChIKeyQNBYDHNUSOJRQD-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.23
Rot. Bonds5

About 2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide

2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide (PubChem CID 65349832) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide
PubChem CID65349832
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide
SMILESN#CCCCNC(=O)Cc1cccc(N)c1
InChIInChI=1S/C12H15N3O/c13-6-1-2-7-15-12(16)9-10-4-3-5-11(14)8-10/h3-5,8H,1-2,7,9,14H2,(H,15,16)
InChIKeyQNBYDHNUSOJRQD-UHFFFAOYSA-N
XLogP1.23
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-N-(3-cyanopropyl)acetamide
CID 55208949
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide
CID 62500011
2-(3-aminophenyl)-N-(5-oxopentyl)acetamide
CID 59992785
N-(2-cyanoethyl)-2-(3-hydroxyphenyl)acetamide
CID 62651288
N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047177
2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 62499698
2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide
CID 55084090
2-(3-aminophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 62498674
2-(3-aminophenyl)-N-(1-cyanobutan-2-yl)acetamide
CID 65349834
2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide
CID 62665870
2-cyano-N-[3-[[2-(3-fluorophenyl)acetyl]amino]propyl]acetamide
CID 108924377

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide (CID 65349832) is 2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide is N#CCCCNC(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide?
The InChIKey is QNBYDHNUSOJRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-6-1-2-7-15-12(16)9-10-4-3-5-11(14)8-10/h3-5,8H,1-2,7,9,14H2,(H,15,16).
What are the key properties of 2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide?
2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide has a molecular weight of 217.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide is sourced from PubChem (CID 65349832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).