2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide

C13H20N2O3 — CID 61210890

IUPAC2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide
SMILESCOc1cc(C(C)NC(C)(C)C(N)=O)ccc1O
InChIInChI=1S/C13H20N2O3/c1-8(15-13(2,3)12(14)17)9-5-6-10(16)11(7-9)18-4/h5-8,15-16H,1-4H3,(H2,14,17)
InChIKeyLYELAGHVBJPVMW-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.32
Rot. Bonds5

About 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide

2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide (PubChem CID 61210890) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide
PubChem CID61210890
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide
SMILESCOc1cc(C(C)NC(C)(C)C(N)=O)ccc1O
InChIInChI=1S/C13H20N2O3/c1-8(15-13(2,3)12(14)17)9-5-6-10(16)11(7-9)18-4/h5-8,15-16H,1-4H3,(H2,14,17)
InChIKeyLYELAGHVBJPVMW-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]acetamide
CID 16772013
2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60787348
2-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]propanamide
CID 61219195
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210959
2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanamide
CID 61218248
2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22339410
2-[1-(2,5-dihydroxyphenyl)ethylamino]-2-methylpropanamide
CID 61210705
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131291
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 43573995
2-[1-(2,6-dihydroxyphenyl)ethylamino]-2-methylpropanamide
CID 107710838
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide?
The IUPAC name of 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide (CID 61210890) is 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide?
The canonical SMILES for 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide is COc1cc(C(C)NC(C)(C)C(N)=O)ccc1O.
What is the InChIKey of 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide?
The InChIKey is LYELAGHVBJPVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(15-13(2,3)12(14)17)9-5-6-10(16)11(7-9)18-4/h5-8,15-16H,1-4H3,(H2,14,17).
What are the key properties of 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide?
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2-methylpropanamide is sourced from PubChem (CID 61210890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).