N-(2-cyanoethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide

C15H19N3O — CID 43410832

IUPACN-(2-cyanoethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
SMILESN#CCCNC(=O)CNC1CCCc2ccccc21
InChIInChI=1S/C15H19N3O/c16-9-4-10-17-15(19)11-18-14-8-3-6-12-5-1-2-7-13(12)14/h1-2,5,7,14,18H,3-4,6,8,10-11H2,(H,17,19)
InChIKeyHINGSFZWBOYZMO-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.68
Rot. Bonds5

About N-(2-cyanoethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide

N-(2-cyanoethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide (PubChem CID 43410832) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
PubChem CID43410832
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-cyanoethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide
SMILESN#CCCNC(=O)CNC1CCCc2ccccc21
InChIInChI=1S/C15H19N3O/c16-9-4-10-17-15(19)11-18-14-8-3-6-12-5-1-2-7-13(12)14/h1-2,5,7,14,18H,3-4,6,8,10-11H2,(H,17,19)
InChIKeyHINGSFZWBOYZMO-UHFFFAOYSA-N
XLogP1.68
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide (CID 43410832) is N-(2-cyanoethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide is N#CCCNC(=O)CNC1CCCc2ccccc21.
What is the InChIKey of N-(2-cyanoethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide?
The InChIKey is HINGSFZWBOYZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-4-10-17-15(19)11-18-14-8-3-6-12-5-1-2-7-13(12)14/h1-2,5,7,14,18H,3-4,6,8,10-11H2,(H,17,19).
What are the key properties of N-(2-cyanoethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide?
N-(2-cyanoethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide has a molecular weight of 257.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetamide is sourced from PubChem (CID 43410832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).