2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide

C14H22N2O3 — CID 76892238

IUPAC2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
SMILESCOc1ccc(OC)c(NC(=O)C(N)C(C)(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)12(15)13(17)16-10-8-9(18-4)6-7-11(10)19-5/h6-8,12H,15H2,1-5H3,(H,16,17)
InChIKeyFHTPLCBEWSHESA-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.02
Rot. Bonds4

About 2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide

2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide (PubChem CID 76892238) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
PubChem CID76892238
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
SMILESCOc1ccc(OC)c(NC(=O)C(N)C(C)(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)12(15)13(17)16-10-8-9(18-4)6-7-11(10)19-5/h6-8,12H,15H2,1-5H3,(H,16,17)
InChIKeyFHTPLCBEWSHESA-UHFFFAOYSA-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

(2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide
CID 103928752
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145
(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-(5-bromo-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 54967646
3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
CID 76887811
2-[(2,5-dimethoxyphenyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116536593
(2R)-2-amino-N-(4-methoxy-2-nitrophenyl)-3,3-dimethylbutanamide
CID 103928804
(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
CID 61149357
2-amino-N-(2,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119263329
N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide
CID 17360519
3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119674271

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide (CID 76892238) is 2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide is COc1ccc(OC)c(NC(=O)C(N)C(C)(C)C)c1.
What is the InChIKey of 2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide?
The InChIKey is FHTPLCBEWSHESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)12(15)13(17)16-10-8-9(18-4)6-7-11(10)19-5/h6-8,12H,15H2,1-5H3,(H,16,17).
What are the key properties of 2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide?
2-amino-N-(2,5-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 2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 76892238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).