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

C12H18N2O — CID 40788859

IUPAC(2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)Nc1ccc(N)c(C)c1
InChIInChI=1S/C12H18N2O/c1-4-8(2)12(15)14-10-5-6-11(13)9(3)7-10/h5-8H,4,13H2,1-3H3,(H,14,15)/t8-/m1/s1
InChIKeyPBXOCHALHVMXSX-MRVPVSSYSA-N
MW206.29 g/mol
LogP2.56
Rot. Bonds3

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

(2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide (PubChem CID 40788859) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide
PubChem CID40788859
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)Nc1ccc(N)c(C)c1
InChIInChI=1S/C12H18N2O/c1-4-8(2)12(15)14-10-5-6-11(13)9(3)7-10/h5-8H,4,13H2,1-3H3,(H,14,15)/t8-/m1/s1
InChIKeyPBXOCHALHVMXSX-MRVPVSSYSA-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-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide
CID 51331861
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3,4-dimethylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852690
(E)-3-[2-methyl-4-(2-methylbutanoylamino)phenyl]prop-2-enoic acid
CID 109374945
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
N-(3-amino-4-ethylphenyl)-2-methylpentanamide
CID 43550225
(2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide
CID 40788863
4-[[(2S)-2-aminobutanoyl]amino]-2-methylbenzoic acid
CID 79023128
N-(4-acetamido-3-methylphenyl)-2-aminobutanamide
CID 43698853

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide?
The IUPAC name of (2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide (CID 40788859) is (2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide.
What is the SMILES notation for (2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide?
The canonical SMILES for (2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide is CC[C@@H](C)C(=O)Nc1ccc(N)c(C)c1.
What is the InChIKey of (2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide?
The InChIKey is PBXOCHALHVMXSX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-8(2)12(15)14-10-5-6-11(13)9(3)7-10/h5-8H,4,13H2,1-3H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-N-(4-amino-3-methylphenyl)-2-methylbutanamide?
(2R)-N-(4-amino-3-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-(4-amino-3-methylphenyl)-2-methylbutanamide is sourced from PubChem (CID 40788859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).