N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide

C14H18N2O2 — CID 39963760

IUPACN-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@](C)(C#N)C(C)C)c1
InChIInChI=1S/C14H18N2O2/c1-10(2)14(3,9-15)16-13(17)11-6-5-7-12(8-11)18-4/h5-8,10H,1-4H3,(H,16,17)/t14-/m0/s1
InChIKeyUOALGFHMYBDTDE-AWEZNQCLSA-N
MW246.31 g/mol
LogP2.36
Rot. Bonds4

About N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide

N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide (PubChem CID 39963760) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide
PubChem CID39963760
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@](C)(C#N)C(C)C)c1
InChIInChI=1S/C14H18N2O2/c1-10(2)14(3,9-15)16-13(17)11-6-5-7-12(8-11)18-4/h5-8,10H,1-4H3,(H,16,17)/t14-/m0/s1
InChIKeyUOALGFHMYBDTDE-AWEZNQCLSA-N
XLogP2.36
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 46791507
N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-iodobenzamide
CID 39963762
N-[(2S)-2-cyano-3-methylbutan-2-yl]benzamide
CID 23582927
2-(3-methoxyanilino)-2,3-dimethylbutanenitrile
CID 60990481
3-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 5204623
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methoxybenzamide
CID 61120038
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7902736
2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide
CID 112786159
N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-4-(3-methoxybenzoyl)benzamide
CID 166198718
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(2,4-dimethoxyanilino)propanamide
CID 35957798
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
(2S)-2-[(3-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61144488

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide (CID 39963760) is N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)N[C@@](C)(C#N)C(C)C)c1.
What is the InChIKey of N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide?
The InChIKey is UOALGFHMYBDTDE-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)14(3,9-15)16-13(17)11-6-5-7-12(8-11)18-4/h5-8,10H,1-4H3,(H,16,17)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide?
N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide has a molecular weight of 246.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 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]-3-methoxybenzamide is sourced from PubChem (CID 39963760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).