4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide

C15H19N3O3 — CID 7931335

IUPAC4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
SMILESCC(C)[C@](C)(C#N)NC(=O)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H19N3O3/c1-10(2)15(3,9-16)18-13(19)8-21-12-6-4-11(5-7-12)14(17)20/h4-7,10H,8H2,1-3H3,(H2,17,20)(H,18,19)/t15-/m0/s1
InChIKeyWTDIDCQCBDAJDO-HNNXBMFYSA-N
MW289.33 g/mol
LogP1.22
Rot. Bonds6

About 4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide

4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide (PubChem CID 7931335) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
PubChem CID7931335
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide
SMILESCC(C)[C@](C)(C#N)NC(=O)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H19N3O3/c1-10(2)15(3,9-16)18-13(19)8-21-12-6-4-11(5-7-12)14(17)20/h4-7,10H,8H2,1-3H3,(H2,17,20)(H,18,19)/t15-/m0/s1
InChIKeyWTDIDCQCBDAJDO-HNNXBMFYSA-N
XLogP1.22
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide
CID 8604749
2-[4-(aminomethyl)phenoxy]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 106484798
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-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140979
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 42974356
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-tert-butylbenzoate
CID 2650971
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-methylbenzoate
CID 2651054
2-(3-bromophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7818301
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(2-cyanophenoxy)acetamide
CID 2651244

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide (CID 7931335) is 4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide is CC(C)[C@](C)(C#N)NC(=O)COc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide?
The InChIKey is WTDIDCQCBDAJDO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)15(3,9-16)18-13(19)8-21-12-6-4-11(5-7-12)14(17)20/h4-7,10H,8H2,1-3H3,(H2,17,20)(H,18,19)/t15-/m0/s1.
What are the key properties of 4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide?
4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide has a molecular weight of 289.33 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 7931335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).