2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide

C15H24N2O2 — CID 76888007

IUPAC2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide
SMILESCCOc1cc(C)ccc1NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-6-19-12-9-10(2)7-8-11(12)17-14(18)13(16)15(3,4)5/h7-9,13H,6,16H2,1-5H3,(H,17,18)
InChIKeyFYMVIMCWGKXEQZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.71
Rot. Bonds4

About 2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide

2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide (PubChem CID 76888007) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide
PubChem CID76888007
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide
SMILESCCOc1cc(C)ccc1NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-6-19-12-9-10(2)7-8-11(12)17-14(18)13(16)15(3,4)5/h7-9,13H,6,16H2,1-5H3,(H,17,18)
InChIKeyFYMVIMCWGKXEQZ-UHFFFAOYSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide
CID 79013044
(2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide
CID 61173731
2-amino-N-(2,4-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892717
3-(2-ethoxy-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896946
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide
CID 61148813
(2R)-2-amino-N-(2-bromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 113353272
3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122076836
(2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119669266
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
(2R)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928800

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide (CID 76888007) is 2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide is CCOc1cc(C)ccc1NC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide?
The InChIKey is FYMVIMCWGKXEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-6-19-12-9-10(2)7-8-11(12)17-14(18)13(16)15(3,4)5/h7-9,13H,6,16H2,1-5H3,(H,17,18).
What are the key properties of 2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide?
2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 76888007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).