N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-ethoxyacetamide

C16H22N2O2 — CID 95172021

IUPACN-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N2O2/c1-5-20-11-15(19)18-14(10-17)12-6-8-13(9-7-12)16(2,3)4/h6-9,14H,5,11H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyYJHGKDGALLQJIV-AWEZNQCLSA-N
MW274.36 g/mol
LogP2.70
Rot. Bonds5

About N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-ethoxyacetamide

N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-ethoxyacetamide (PubChem CID 95172021) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-ethoxyacetamide
PubChem CID95172021
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N2O2/c1-5-20-11-15(19)18-14(10-17)12-6-8-13(9-7-12)16(2,3)4/h6-9,14H,5,11H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyYJHGKDGALLQJIV-AWEZNQCLSA-N
XLogP2.70
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide
CID 124850090
N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-3-[(S)-methylsulfinyl]propanamide
CID 97340334
N-[(4-tert-butylphenyl)-cyanomethyl]-2-(carbamoylamino)propanamide
CID 56803706
N-[(4-tert-butylphenyl)-cyanomethyl]cyclohex-3-ene-1-carboxamide
CID 136524459
N-[cyano-[4-(dimethylamino)phenyl]methyl]propanamide
CID 82115840
N-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide
CID 110664177
N-[cyano-[4-(trifluoromethyl)phenyl]methyl]-2,2,2-trifluoroacetamide
CID 19931244
(3R)-N-[(S)-(4-tert-butylphenyl)-cyanomethyl]oxolane-3-carboxamide
CID 95617394
ethyl N-[cyano(phenyl)methyl]carbamate
CID 60763548
N-[(1R)-1-(4-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81359041
2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778
N-[(1S)-1-(4-tert-butylphenyl)-2-fluoroethyl]-2-methoxyacetamide
CID 72708606

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-ethoxyacetamide?
The IUPAC name of N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-ethoxyacetamide (CID 95172021) is N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-ethoxyacetamide?
The canonical SMILES for N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-ethoxyacetamide is CCOCC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-ethoxyacetamide?
The InChIKey is YJHGKDGALLQJIV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-20-11-15(19)18-14(10-17)12-6-8-13(9-7-12)16(2,3)4/h6-9,14H,5,11H2,1-4H3,(H,18,19)/t14-/m0/s1.
What are the key properties of N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-ethoxyacetamide?
N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-ethoxyacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-tert-butylphenyl)-cyanomethyl]-2-ethoxyacetamide is sourced from PubChem (CID 95172021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).