N-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide

C13H19N3OS — CID 60697385

IUPACN-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
SMILESCC(C)C(NCC(=O)NCCC#N)c1cccs1
InChIInChI=1S/C13H19N3OS/c1-10(2)13(11-5-3-8-18-11)16-9-12(17)15-7-4-6-14/h3,5,8,10,13,16H,4,7,9H2,1-2H3,(H,15,17)
InChIKeyFDNCYUQRVUJUDW-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.06
Rot. Bonds7

About N-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide

N-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide (PubChem CID 60697385) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
PubChem CID60697385
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
SMILESCC(C)C(NCC(=O)NCCC#N)c1cccs1
InChIInChI=1S/C13H19N3OS/c1-10(2)13(11-5-3-8-18-11)16-9-12(17)15-7-4-6-14/h3,5,8,10,13,16H,4,7,9H2,1-2H3,(H,15,17)
InChIKeyFDNCYUQRVUJUDW-UHFFFAOYSA-N
XLogP2.06
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 63291377
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile
CID 60697402
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
CID 55411817
N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide
CID 60688303
2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 86909139
2-[1-(3-chlorophenyl)ethylamino]-N-(2-cyanoethyl)acetamide
CID 60694877
4-[[(1R)-1-thiophen-2-ylethyl]amino]butanenitrile
CID 81407892
N-(2-cyanoethyl)thiophene-2-carboxamide
CID 60656092
N-(2-methylpropyl)-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398125
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone
CID 60673756
N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)propan-2-ylamino]acetamide
CID 62995123
2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]-N-propylacetamide
CID 8862800

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide (CID 60697385) is N-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide is CC(C)C(NCC(=O)NCCC#N)c1cccs1.
What is the InChIKey of N-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide?
The InChIKey is FDNCYUQRVUJUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10(2)13(11-5-3-8-18-11)16-9-12(17)15-7-4-6-14/h3,5,8,10,13,16H,4,7,9H2,1-2H3,(H,15,17).
What are the key properties of N-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide?
N-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide has a molecular weight of 265.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide is sourced from PubChem (CID 60697385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).