(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide

C14H22N2O — CID 79011736

IUPAC(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
SMILESCCc1cccc(C)c1NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C14H22N2O/c1-5-11-8-6-7-10(4)13(11)16-14(17)12(15)9(2)3/h6-9,12H,5,15H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyKOSTUUOTQOWBLU-GFCCVEGCSA-N
MW234.34 g/mol
LogP2.48
Rot. Bonds4

About (2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide

(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide (PubChem CID 79011736) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
PubChem CID79011736
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
SMILESCCc1cccc(C)c1NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C14H22N2O/c1-5-11-8-6-7-10(4)13(11)16-14(17)12(15)9(2)3/h6-9,12H,5,15H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyKOSTUUOTQOWBLU-GFCCVEGCSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide
CID 66254944
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-2-phenylacetamide
CID 61148140
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
5-(2-ethyl-6-methylanilino)-4-methyl-5-oxopentanoic acid
CID 112517138
(2S)-2-[(2-ethyl-6-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 28508827
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 7081327
2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 82027609
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea
CID 108910219
N'-(2-ethyl-6-methylphenyl)butanediamide
CID 82041304

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide (CID 79011736) is (2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide is CCc1cccc(C)c1NC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide?
The InChIKey is KOSTUUOTQOWBLU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-11-8-6-7-10(4)13(11)16-14(17)12(15)9(2)3/h6-9,12H,5,15H2,1-4H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide?
(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 79011736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).