(2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide

C14H19N3O2 — CID 104902849

IUPAC(2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C14H19N3O2/c1-10(2)8-13(16)14(18)17-11-4-3-5-12(9-11)19-7-6-15/h3-5,9-10,13H,7-8,16H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeySHJVLVJKGUXPMS-CYBMUJFWSA-N
MW261.32 g/mol
LogP1.90
Rot. Bonds6

About (2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide

(2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide (PubChem CID 104902849) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide
PubChem CID104902849
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1cccc(OCC#N)c1
InChIInChI=1S/C14H19N3O2/c1-10(2)8-13(16)14(18)17-11-4-3-5-12(9-11)19-7-6-15/h3-5,9-10,13H,7-8,16H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeySHJVLVJKGUXPMS-CYBMUJFWSA-N
XLogP1.90
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[3-(cyanomethoxy)anilino]-4-oxobutanoic acid
CID 64897249
2-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 43708782
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
(2S)-2-amino-4-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide;hydrochloride
CID 119727329
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride
CID 119707765
2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 24691365
[3-(cyanomethoxy)phenyl]urea
CID 43369607
4-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 81075432
(2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide
CID 119846196
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide (CID 104902849) is (2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)Nc1cccc(OCC#N)c1.
What is the InChIKey of (2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide?
The InChIKey is SHJVLVJKGUXPMS-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(2)8-13(16)14(18)17-11-4-3-5-12(9-11)19-7-6-15/h3-5,9-10,13H,7-8,16H2,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide?
(2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide has a molecular weight of 261.32 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide is sourced from PubChem (CID 104902849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).