N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide

C16H21N3O — CID 37473194

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)N[C@@](C)(C#N)C2CC2)c(C)c1
InChIInChI=1S/C16H21N3O/c1-11-4-7-14(12(2)8-11)18-9-15(20)19-16(3,10-17)13-5-6-13/h4,7-8,13,18H,5-6,9H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyZUUQXTLLOGISHM-INIZCTEOSA-N
MW271.36 g/mol
LogP2.52
Rot. Bonds5

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide (PubChem CID 37473194) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide
PubChem CID37473194
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)N[C@@](C)(C#N)C2CC2)c(C)c1
InChIInChI=1S/C16H21N3O/c1-11-4-7-14(12(2)8-11)18-9-15(20)19-16(3,10-17)13-5-6-13/h4,7-8,13,18H,5-6,9H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyZUUQXTLLOGISHM-INIZCTEOSA-N
XLogP2.52
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,3,4-trifluoroanilino)acetamide
CID 51862267
N-(1-cyano-1-cyclopropylethyl)-2-(2,5-dichloroanilino)acetamide
CID 43015950
2-(3-acetamido-4-methylanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 94630869
2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 37471767
2-(4-bromo-3-methylanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 47107181
2-(2-acetyl-5-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 86788068
N-(1-cyano-1-cyclopropylethyl)-2-(3,5-dichloroanilino)acetamide
CID 47109692
2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 47123731
N-(1-cyano-1-cyclopropylethyl)-2-[4-fluoro-3-(trifluoromethyl)anilino]acetamide
CID 51095929
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7354781
N-[4-[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 60537249
2-(2-benzylsulfanylanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 42921588

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide (CID 37473194) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide is Cc1ccc(NCC(=O)N[C@@](C)(C#N)C2CC2)c(C)c1.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide?
The InChIKey is ZUUQXTLLOGISHM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-4-7-14(12(2)8-11)18-9-15(20)19-16(3,10-17)13-5-6-13/h4,7-8,13,18H,5-6,9H2,1-3H3,(H,19,20)/t16-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,4-dimethylanilino)acetamide is sourced from PubChem (CID 37473194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).