(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide

C13H20N2O2 — CID 61149357

IUPAC(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
SMILESCOc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)11(14)12(16)15-9-5-7-10(17-4)8-6-9/h5-8,11H,14H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeyHWWAQLAWQLRUTD-LLVKDONJSA-N
MW236.31 g/mol
LogP2.01
Rot. Bonds3

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

(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide (PubChem CID 61149357) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
PubChem CID61149357
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
SMILESCOc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)11(14)12(16)15-9-5-7-10(17-4)8-6-9/h5-8,11H,14H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeyHWWAQLAWQLRUTD-LLVKDONJSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 61179916
methyl N-[4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 103928929
2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 76892558
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215
methyl 4-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenoxy]butanoate
CID 119784200
2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 76892238
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670354
(2R)-2-amino-N-(4-tert-butylphenyl)-2-(4-methoxyphenyl)acetamide
CID 125499160
(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928285
2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide
CID 76887665

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide (CID 61149357) is (2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide is COc1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1.
What is the InChIKey of (2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide?
The InChIKey is HWWAQLAWQLRUTD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)11(14)12(16)15-9-5-7-10(17-4)8-6-9/h5-8,11H,14H2,1-4H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide has a molecular weight of 236.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 61149357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).