2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide

C13H20N2O3 — CID 67520120

IUPAC2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1cc(CCNC(=O)C(C)(C)N)ccc1O
InChIInChI=1S/C13H20N2O3/c1-13(2,14)12(17)15-7-6-9-4-5-10(16)11(8-9)18-3/h4-5,8,16H,6-7,14H2,1-3H3,(H,15,17)
InChIKeyDZNRKLSWMLNLIG-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.80
Rot. Bonds5

About 2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide

2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide (PubChem CID 67520120) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide
PubChem CID67520120
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1cc(CCNC(=O)C(C)(C)N)ccc1O
InChIInChI=1S/C13H20N2O3/c1-13(2,14)12(17)15-7-6-9-4-5-10(16)11(8-9)18-3/h4-5,8,16H,6-7,14H2,1-3H3,(H,15,17)
InChIKeyDZNRKLSWMLNLIG-UHFFFAOYSA-N
XLogP0.80
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate
CID 14018351
3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 102585862
2,2,2-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 885653
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 164627851
1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 71334151
tert-butyl N-[1-[2-(4-hydroxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 18412064
1-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65466544
(2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide
CID 69017627
ethane;2-methoxy-4-propylphenol
CID 144852330
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
(2R)-2-(5-chlorothiophen-2-yl)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 69019591

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide (CID 67520120) is 2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide is COc1cc(CCNC(=O)C(C)(C)N)ccc1O.
What is the InChIKey of 2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide?
The InChIKey is DZNRKLSWMLNLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,14)12(17)15-7-6-9-4-5-10(16)11(8-9)18-3/h4-5,8,16H,6-7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide?
2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 67520120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).