N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide

C15H17N3O — CID 79287312

IUPACN-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CC)Cc1ccccc1C#N
InChIInChI=1S/C15H17N3O/c1-3-9-17-11-15(19)18(4-2)12-14-8-6-5-7-13(14)10-16/h1,5-8,17H,4,9,11-12H2,2H3
InChIKeyIELTXZZOVLMXMV-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.13
Rot. Bonds6

About N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide

N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide (PubChem CID 79287312) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide
PubChem CID79287312
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CC)Cc1ccccc1C#N
InChIInChI=1S/C15H17N3O/c1-3-9-17-11-15(19)18(4-2)12-14-8-6-5-7-13(14)10-16/h1,5-8,17H,4,9,11-12H2,2H3
InChIKeyIELTXZZOVLMXMV-UHFFFAOYSA-N
XLogP1.13
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 79264374
ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate
CID 61355544
2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60693832
2-chloro-N-[(2-cyanophenyl)methyl]-N-ethylpropanamide
CID 54875994
5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 82011067
N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655924
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide
CID 60962959
2-[(prop-2-ynylamino)methyl]benzonitrile
CID 28563080
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 60963774
N-benzyl-N-propyl-2-(prop-2-ynylamino)acetamide
CID 78915073
N-[(2-chlorophenyl)methyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78915074
N-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide
CID 47355649

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide (CID 79287312) is N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(CC)Cc1ccccc1C#N.
What is the InChIKey of N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide?
The InChIKey is IELTXZZOVLMXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-9-17-11-15(19)18(4-2)12-14-8-6-5-7-13(14)10-16/h1,5-8,17H,4,9,11-12H2,2H3.
What are the key properties of N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide?
N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide has a molecular weight of 255.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79287312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).