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

C12H18N2O — CID 40788863

IUPAC(2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)Nc1ccc(C)cc1N
InChIInChI=1S/C12H18N2O/c1-4-9(3)12(15)14-11-6-5-8(2)7-10(11)13/h5-7,9H,4,13H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyDIGXBPPAWKOBTB-SECBINFHSA-N
MW206.29 g/mol
LogP2.56
Rot. Bonds3

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

(2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide (PubChem CID 40788863) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide
PubChem CID40788863
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)Nc1ccc(C)cc1N
InChIInChI=1S/C12H18N2O/c1-4-9(3)12(15)14-11-6-5-8(2)7-10(11)13/h5-7,9H,4,13H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyDIGXBPPAWKOBTB-SECBINFHSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-methylphenyl)-3-methylpentanamide
CID 114873461
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide
CID 54943807
N-(4-amino-2-fluorophenyl)-2-methylbutanamide
CID 43831298
2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid
CID 127568642
N-(4-amino-2-bromophenyl)-2-methylbutanamide
CID 43549561
N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide
CID 43549148
(2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide
CID 97315329
N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide
CID 108521402
N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide
CID 61289452
methyl 2-(2-amino-4-methylanilino)propanoate
CID 61499476
(2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide
CID 40788859

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide?
The IUPAC name of (2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide (CID 40788863) is (2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide.
What is the SMILES notation for (2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide?
The canonical SMILES for (2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide is CC[C@@H](C)C(=O)Nc1ccc(C)cc1N.
What is the InChIKey of (2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide?
The InChIKey is DIGXBPPAWKOBTB-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-9(3)12(15)14-11-6-5-8(2)7-10(11)13/h5-7,9H,4,13H2,1-3H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide?
(2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide has a molecular weight of 206.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide is sourced from PubChem (CID 40788863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).