(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide

C13H19ClN2O2 — CID 103928285

IUPAC(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide
SMILESCOc1ccc(NC(=O)[C@H](N)C(C)(C)C)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-13(2,3)11(15)12(17)16-8-5-6-10(18-4)9(14)7-8/h5-7,11H,15H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyCSGFGZGTURYKGE-NSHDSACASA-N
MW270.76 g/mol
LogP2.66
Rot. Bonds3

About (2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide (PubChem CID 103928285) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide
PubChem CID103928285
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide
SMILESCOc1ccc(NC(=O)[C@H](N)C(C)(C)C)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-13(2,3)11(15)12(17)16-8-5-6-10(18-4)9(14)7-8/h5-7,11H,15H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyCSGFGZGTURYKGE-NSHDSACASA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 70963721
2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
CID 24707805
(2R)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928800
4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid
CID 107208073
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119688392
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
(2S)-2-amino-N-(4-chloro-3-fluorophenyl)-3,3-dimethylbutanamide
CID 61178407
(2S)-2-amino-N-(3-chloro-4-cyanophenyl)-3,3-dimethylbutanamide
CID 61149342
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 76893076
(2S)-2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 61154260
(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
CID 61149357
2-amino-N-(3-chloro-4-nitrophenyl)-3,3-dimethylbutanamide
CID 112555883

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide (CID 103928285) is (2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide is COc1ccc(NC(=O)[C@H](N)C(C)(C)C)cc1Cl.
What is the InChIKey of (2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide?
The InChIKey is CSGFGZGTURYKGE-NSHDSACASA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-13(2,3)11(15)12(17)16-8-5-6-10(18-4)9(14)7-8/h5-7,11H,15H2,1-4H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide has a molecular weight of 270.76 g/mol, XLogP of 2.66, 3 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-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103928285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).