N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-propan-2-ylphenoxy)acetamide

C17H22N2O2 — CID 95168877

IUPACN-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cccc(OCC(=O)N[C@](C)(C#N)C2CC2)c1
InChIInChI=1S/C17H22N2O2/c1-12(2)13-5-4-6-15(9-13)21-10-16(20)19-17(3,11-18)14-7-8-14/h4-6,9,12,14H,7-8,10H2,1-3H3,(H,19,20)/t17-/m1/s1
InChIKeyIGKOUEFORFTRTR-QGZVFWFLSA-N
MW286.37 g/mol
LogP3.00
Rot. Bonds6

About N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-propan-2-ylphenoxy)acetamide

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 95168877) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID95168877
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1cccc(OCC(=O)N[C@](C)(C#N)C2CC2)c1
InChIInChI=1S/C17H22N2O2/c1-12(2)13-5-4-6-15(9-13)21-10-16(20)19-17(3,11-18)14-7-8-14/h4-6,9,12,14H,7-8,10H2,1-3H3,(H,19,20)/t17-/m1/s1
InChIKeyIGKOUEFORFTRTR-QGZVFWFLSA-N
XLogP3.00
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-nitrophenoxy)acetamide
CID 7865319
2-(4-acetamidophenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7203447
2-(2-acetylphenoxy)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7859288
2-(2-acetylphenoxy)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7859290
N-[3-(aminomethyl)pentan-3-yl]-2-(3-propan-2-ylphenoxy)acetamide
CID 119571885
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 8912031
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140600
2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7531377
N-cyclopropyl-2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetamide
CID 46446393
N-(1-cyano-1-cyclopropylethyl)-2-(2-methyl-3-nitrophenoxy)acetamide
CID 47058585
N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 116820828
2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 47004249

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-propan-2-ylphenoxy)acetamide (CID 95168877) is N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-propan-2-ylphenoxy)acetamide is CC(C)c1cccc(OCC(=O)N[C@](C)(C#N)C2CC2)c1.
What is the InChIKey of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is IGKOUEFORFTRTR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)13-5-4-6-15(9-13)21-10-16(20)19-17(3,11-18)14-7-8-14/h4-6,9,12,14H,7-8,10H2,1-3H3,(H,19,20)/t17-/m1/s1.
What are the key properties of N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-propan-2-ylphenoxy)acetamide?
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 286.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 95168877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).