N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide

C15H21N3O — CID 94183956

IUPACN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)N[C@@](C)(C#N)C(C)C)cc1
InChIInChI=1S/C15H21N3O/c1-11(2)15(4,10-16)18-14(19)9-17-13-7-5-12(3)6-8-13/h5-8,11,17H,9H2,1-4H3,(H,18,19)/t15-/m0/s1
InChIKeyBDCWXJATZQLEHQ-HNNXBMFYSA-N
MW259.35 g/mol
LogP2.46
Rot. Bonds5

About N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide (PubChem CID 94183956) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide
PubChem CID94183956
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)N[C@@](C)(C#N)C(C)C)cc1
InChIInChI=1S/C15H21N3O/c1-11(2)15(4,10-16)18-14(19)9-17-13-7-5-12(3)6-8-13/h5-8,11,17H,9H2,1-4H3,(H,18,19)/t15-/m0/s1
InChIKeyBDCWXJATZQLEHQ-HNNXBMFYSA-N
XLogP2.46
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide
CID 51727361
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3,5-dimethylanilino)acetamide
CID 51726807
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 51883684
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-methylbenzoate
CID 2651054
2-(2-chloro-4-methylphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 22104897
2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 43015934
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
CID 95285313
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 7813201
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 94171709
N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111490028
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide
CID 61026918
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2651143

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide (CID 94183956) is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide is Cc1ccc(NCC(=O)N[C@@](C)(C#N)C(C)C)cc1.
What is the InChIKey of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide?
The InChIKey is BDCWXJATZQLEHQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)15(4,10-16)18-14(19)9-17-13-7-5-12(3)6-8-13/h5-8,11,17H,9H2,1-4H3,(H,18,19)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide?
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide has a molecular weight of 259.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 94183956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).