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

C14H22N2O3 — CID 61148145

IUPAC(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
SMILESCOc1ccc(NC(=O)[C@@H](N)C(C)(C)C)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)12(15)13(17)16-10-7-6-9(18-4)8-11(10)19-5/h6-8,12H,15H2,1-5H3,(H,16,17)/t12-/m1/s1
InChIKeySMPXIRHKIOUAGZ-GFCCVEGCSA-N
MW266.34 g/mol
LogP2.02
Rot. Bonds4

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

(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide (PubChem CID 61148145) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
PubChem CID61148145
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
SMILESCOc1ccc(NC(=O)[C@@H](N)C(C)(C)C)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)12(15)13(17)16-10-7-6-9(18-4)8-11(10)19-5/h6-8,12H,15H2,1-5H3,(H,16,17)/t12-/m1/s1
InChIKeySMPXIRHKIOUAGZ-GFCCVEGCSA-N
XLogP2.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 76892238
(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide
CID 103928804
(2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide
CID 103928752
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
CID 22691067
(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
CID 61149357
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 22691240
N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195727
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 54967646

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide (CID 61148145) is (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide is COc1ccc(NC(=O)[C@@H](N)C(C)(C)C)c(OC)c1.
What is the InChIKey of (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide?
The InChIKey is SMPXIRHKIOUAGZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)12(15)13(17)16-10-7-6-9(18-4)8-11(10)19-5/h6-8,12H,15H2,1-5H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide has a molecular weight of 266.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 61148145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).