(2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide

C14H22N2O2 — CID 79011717

IUPAC(2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide
SMILESCOc1c(C)ccc(NC(=O)[C@H](N)C(C)C)c1C
InChIInChI=1S/C14H22N2O2/c1-8(2)12(15)14(17)16-11-7-6-9(3)13(18-5)10(11)4/h6-8,12H,15H2,1-5H3,(H,16,17)/t12-/m1/s1
InChIKeyJCQJHRPQZIKIDT-GFCCVEGCSA-N
MW250.34 g/mol
LogP2.23
Rot. Bonds4

About (2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide

(2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide (PubChem CID 79011717) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide
PubChem CID79011717
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide
SMILESCOc1c(C)ccc(NC(=O)[C@H](N)C(C)C)c1C
InChIInChI=1S/C14H22N2O2/c1-8(2)12(15)14(17)16-11-7-6-9(3)13(18-5)10(11)4/h6-8,12H,15H2,1-5H3,(H,16,17)/t12-/m1/s1
InChIKeyJCQJHRPQZIKIDT-GFCCVEGCSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide
CID 61147125
4-(3-methoxy-2,4-dimethylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497339
4-hydroxy-N-(3-methoxy-2,4-dimethylphenyl)pentanamide
CID 79203586
N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
CID 43697583
N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide
CID 43696159
2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide
CID 62726523
4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide
CID 43697374
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide
CID 43712521
(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide
CID 79013529
4-(3-methoxy-2,4-dimethylanilino)-4-oxobutanoic acid
CID 54868313
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
CID 61156017
2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
CID 43700591

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide (CID 79011717) is (2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide is COc1c(C)ccc(NC(=O)[C@H](N)C(C)C)c1C.
What is the InChIKey of (2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide?
The InChIKey is JCQJHRPQZIKIDT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-8(2)12(15)14(17)16-11-7-6-9(3)13(18-5)10(11)4/h6-8,12H,15H2,1-5H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide?
(2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide is sourced from PubChem (CID 79011717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).