N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide

C17H22N2O3 — CID 8604749

IUPACN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N[C@](C)(C#N)C(C)C)cc1
InChIInChI=1S/C17H22N2O3/c1-5-15(20)13-6-8-14(9-7-13)22-10-16(21)19-17(4,11-18)12(2)3/h6-9,12H,5,10H2,1-4H3,(H,19,21)/t17-/m1/s1
InChIKeySYDVQZVENXZJBV-QGZVFWFLSA-N
MW302.37 g/mol
LogP2.71
Rot. Bonds7

About N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 8604749) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide
PubChem CID8604749
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N[C@](C)(C#N)C(C)C)cc1
InChIInChI=1S/C17H22N2O3/c1-5-15(20)13-6-8-14(9-7-13)22-10-16(21)19-17(4,11-18)12(2)3/h6-9,12H,5,10H2,1-4H3,(H,19,21)/t17-/m1/s1
InChIKeySYDVQZVENXZJBV-QGZVFWFLSA-N
XLogP2.71
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
CID 7931335
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide
CID 61026918
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966668
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 4828464
2-[4-(aminomethyl)phenoxy]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 106484798
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140979
2-(3-bromophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7818301
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 42974356
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2-cyanophenoxy)acetamide
CID 2651244
2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 15457237
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983637

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide (CID 8604749) is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)N[C@](C)(C#N)C(C)C)cc1.
What is the InChIKey of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is SYDVQZVENXZJBV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-5-15(20)13-6-8-14(9-7-13)22-10-16(21)19-17(4,11-18)12(2)3/h6-9,12H,5,10H2,1-4H3,(H,19,21)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide?
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 302.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 8604749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).