N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide

C14H22N2O3 — CID 107710460

IUPACN-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(C)c1c(O)cccc1O
InChIInChI=1S/C14H22N2O3/c1-9(2)14(19)16-8-7-15-10(3)13-11(17)5-4-6-12(13)18/h4-6,9-10,15,17-18H,7-8H2,1-3H3,(H,16,19)
InChIKeyUYLDXYZQGBQJSN-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.52
Rot. Bonds6

About N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide

N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide (PubChem CID 107710460) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide
PubChem CID107710460
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(C)c1c(O)cccc1O
InChIInChI=1S/C14H22N2O3/c1-9(2)14(19)16-8-7-15-10(3)13-11(17)5-4-6-12(13)18/h4-6,9-10,15,17-18H,7-8H2,1-3H3,(H,16,19)
InChIKeyUYLDXYZQGBQJSN-UHFFFAOYSA-N
XLogP1.52
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate
CID 107711346
2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
CID 107710571
N-[2-[1-(2-methoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43202951
N-[2-[1-(4-ethylphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43203024
2-[1-(2-ethylsulfinylethylamino)ethyl]benzene-1,3-diol
CID 107711285
N-[2-[1-(2-ethoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43203001
2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43111148
2-[1-[2-(4-fluoro-2-methylphenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107711088
2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43103125
2-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]benzene-1,3-diol
CID 106158212
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870
2,6-dihydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107690240

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide (CID 107710460) is N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC(C)c1c(O)cccc1O.
What is the InChIKey of N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide?
The InChIKey is UYLDXYZQGBQJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)14(19)16-8-7-15-10(3)13-11(17)5-4-6-12(13)18/h4-6,9-10,15,17-18H,7-8H2,1-3H3,(H,16,19).
What are the key properties of N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide?
N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 107710460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).