(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide

C17H28N2O2 — CID 103928652

IUPAC(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-16(2,3)11-8-9-13(21-7)12(10-11)19-15(20)14(18)17(4,5)6/h8-10,14H,18H2,1-7H3,(H,19,20)/t14-/m0/s1
InChIKeyBKYQELKZBRHSEZ-AWEZNQCLSA-N
MW292.42 g/mol
LogP3.30
Rot. Bonds3

About (2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide (PubChem CID 103928652) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
PubChem CID103928652
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-16(2,3)11-8-9-13(21-7)12(10-11)19-15(20)14(18)17(4,5)6/h8-10,14H,18H2,1-7H3,(H,19,20)/t14-/m0/s1
InChIKeyBKYQELKZBRHSEZ-AWEZNQCLSA-N
XLogP3.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856
2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 76892238
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 54967646
3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
CID 76887811
2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide
CID 60852777
2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide
CID 65225620
(2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 7935933
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145
(2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide
CID 103928752
N-(5-tert-butyl-2-methoxyphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836730
N-(5-tert-butyl-2-methoxyphenyl)-1-cyanoformamide
CID 115171825

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide (CID 103928652) is (2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide is COc1ccc(C(C)(C)C)cc1NC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide?
The InChIKey is BKYQELKZBRHSEZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-16(2,3)11-8-9-13(21-7)12(10-11)19-15(20)14(18)17(4,5)6/h8-10,14H,18H2,1-7H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide has a molecular weight of 292.42 g/mol, XLogP of 3.30, 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-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103928652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).