2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide

C14H19N3O — CID 54978738

IUPAC2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1ccccc1C#N
InChIInChI=1S/C14H19N3O/c1-3-8-17(11-14(18)16-2)10-13-7-5-4-6-12(13)9-15/h4-7H,3,8,10-11H2,1-2H3,(H,16,18)
InChIKeyYGWGXFHTISRERY-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.52
Rot. Bonds6

About 2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide

2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide (PubChem CID 54978738) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide
PubChem CID54978738
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)Cc1ccccc1C#N
InChIInChI=1S/C14H19N3O/c1-3-8-17(11-14(18)16-2)10-13-7-5-4-6-12(13)9-15/h4-7H,3,8,10-11H2,1-2H3,(H,16,18)
InChIKeyYGWGXFHTISRERY-UHFFFAOYSA-N
XLogP1.52
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide
CID 43216435
3-[(2-cyanophenyl)methyl-propylamino]propanoic acid
CID 82327915
2-[(4-cyano-2-methylphenyl)methyl-propylamino]-N-methylacetamide
CID 114481086
N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide
CID 62465375
2-[(3-bromo-2-hydroxyphenyl)methyl-propylamino]-N-methylacetamide
CID 82986387
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide
CID 61236356
2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide
CID 65343735
2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8792545
4-[2-carboxyethyl-[(2-cyanophenyl)methyl]amino]butanoic acid
CID 82327931
2-[[ethyl(3-hydroxypropyl)amino]methyl]benzonitrile
CID 115582111
3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide
CID 62324815

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide (CID 54978738) is 2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)Cc1ccccc1C#N.
What is the InChIKey of 2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide?
The InChIKey is YGWGXFHTISRERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-8-17(11-14(18)16-2)10-13-7-5-4-6-12(13)9-15/h4-7H,3,8,10-11H2,1-2H3,(H,16,18).
What are the key properties of 2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide?
2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide has a molecular weight of 245.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide is sourced from PubChem (CID 54978738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).