(2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide

C14H22N2O2 — CID 79013044

IUPAC(2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide
SMILESCCOc1cc(C)ccc1NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C14H22N2O2/c1-5-18-12-8-10(4)6-7-11(12)16-14(17)13(15)9(2)3/h6-9,13H,5,15H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyAGODZHRJMXRHLU-CYBMUJFWSA-N
MW250.34 g/mol
LogP2.32
Rot. Bonds5

About (2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide

(2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide (PubChem CID 79013044) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide
PubChem CID79013044
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide
SMILESCCOc1cc(C)ccc1NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C14H22N2O2/c1-5-18-12-8-10(4)6-7-11(12)16-14(17)13(15)9(2)3/h6-9,13H,5,15H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyAGODZHRJMXRHLU-CYBMUJFWSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide
CID 61173731
2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide
CID 76888007
3-(2-ethoxy-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896946
1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea
CID 111336863
(2S)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967933
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967931
1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453119
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 61179599
2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 54862511
N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862887
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide
CID 54862844

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide (CID 79013044) is (2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide is CCOc1cc(C)ccc1NC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide?
The InChIKey is AGODZHRJMXRHLU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-18-12-8-10(4)6-7-11(12)16-14(17)13(15)9(2)3/h6-9,13H,5,15H2,1-4H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide?
(2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 79013044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).