2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide

C13H20N2O2 — CID 75009597

IUPAC2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
SMILESCCNC(=O)C(N)Cc1c(C)cc(O)cc1C
InChIInChI=1S/C13H20N2O2/c1-4-15-13(17)12(14)7-11-8(2)5-10(16)6-9(11)3/h5-6,12,16H,4,7,14H2,1-3H3,(H,15,17)
InChIKeyIPSZXPJFPXMRRM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.01
Rot. Bonds4

About 2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide

2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide (PubChem CID 75009597) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
PubChem CID75009597
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
SMILESCCNC(=O)C(N)Cc1c(C)cc(O)cc1C
InChIInChI=1S/C13H20N2O2/c1-4-15-13(17)12(14)7-11-8(2)5-10(16)6-9(11)3/h5-6,12,16H,4,7,14H2,1-3H3,(H,15,17)
InChIKeyIPSZXPJFPXMRRM-UHFFFAOYSA-N
XLogP1.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[4-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]butyl]-3-phenylpropanamide
CID 10960900
2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[2-(3-phenylpropylsulfanyl)ethyl]propanamide
CID 14852306
(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-1-[3-(4-hydroxyphenyl)propylamino]-1-oxopropan-2-yl]propanamide
CID 14599656
tert-butyl (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoate
CID 138718458
ethyl 2-amino-3-(2,4-dihydroxy-6-methylphenyl)propanoate
CID 170885118
(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 129187865
(2S)-2-amino-N-[(3-benzylphenyl)methyl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide;2,2,2-trifluoroacetic acid
CID 155527807
2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide
CID 116848629
(2S)-2-amino-N-[(5-benzyl-2-ethoxyphenyl)methyl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 155523094
(3,5-dimethylphenyl) 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoate
CID 173042464
ethyl 4-[3-[[(2R)-2-[[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]propanoyl]amino]propyl]benzoate
CID 14599671
2-amino-N-[4-[6-[3-[[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]propyl]-5-methyl-2-oxo-1H-pyrazin-3-yl]butyl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 10416429

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide?
The IUPAC name of 2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide (CID 75009597) is 2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide?
The canonical SMILES for 2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide is CCNC(=O)C(N)Cc1c(C)cc(O)cc1C.
What is the InChIKey of 2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide?
The InChIKey is IPSZXPJFPXMRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-15-13(17)12(14)7-11-8(2)5-10(16)6-9(11)3/h5-6,12,16H,4,7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide?
2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 75009597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).