(2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide

C14H19N3O2 — CID 107467870

IUPAC(2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1c(C#N)cccc1OC
InChIInChI=1S/C14H19N3O2/c1-4-9(2)12(16)14(18)17-13-10(8-15)6-5-7-11(13)19-3/h5-7,9,12H,4,16H2,1-3H3,(H,17,18)/t9?,12-/m0/s1
InChIKeyKVWZPCGTPRRRLP-ACGXKRRESA-N
MW261.32 g/mol
LogP1.88
Rot. Bonds5

About (2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide

(2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide (PubChem CID 107467870) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide
PubChem CID107467870
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1c(C#N)cccc1OC
InChIInChI=1S/C14H19N3O2/c1-4-9(2)12(16)14(18)17-13-10(8-15)6-5-7-11(13)19-3/h5-7,9,12H,4,16H2,1-3H3,(H,17,18)/t9?,12-/m0/s1
InChIKeyKVWZPCGTPRRRLP-ACGXKRRESA-N
XLogP1.88
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide
CID 106114168
3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide
CID 107467787
ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate
CID 107467674
2-amino-3-(2-cyano-6-methoxyanilino)propanamide
CID 107468750
(2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide
CID 22690911
1-butyl-3-(2-cyano-6-methoxyphenyl)urea
CID 107467258
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
methyl 3-amino-2-(2-cyano-6-methoxyanilino)propanoate
CID 114242386
2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 107467514
2-(2-aminoethoxy)-N-(2-cyano-6-methoxyphenyl)acetamide
CID 107467856
1-(2-cyano-6-methoxyphenyl)-3-pentylurea
CID 10377977
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide (CID 107467870) is (2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1c(C#N)cccc1OC.
What is the InChIKey of (2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide?
The InChIKey is KVWZPCGTPRRRLP-ACGXKRRESA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-9(2)12(16)14(18)17-13-10(8-15)6-5-7-11(13)19-3/h5-7,9,12H,4,16H2,1-3H3,(H,17,18)/t9?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide?
(2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide has a molecular weight of 261.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide is sourced from PubChem (CID 107467870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).