2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide

C12H18N2O3 — CID 106170747

IUPAC2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide
SMILESCOCc1ccc(CNCC(O)C(N)=O)cc1
InChIInChI=1S/C12H18N2O3/c1-17-8-10-4-2-9(3-5-10)6-14-7-11(15)12(13)16/h2-5,11,14-15H,6-8H2,1H3,(H2,13,16)
InChIKeyVUSJBDSYTMUIOA-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.23
Rot. Bonds7

About 2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide

2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide (PubChem CID 106170747) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide
PubChem CID106170747
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide
SMILESCOCc1ccc(CNCC(O)C(N)=O)cc1
InChIInChI=1S/C12H18N2O3/c1-17-8-10-4-2-9(3-5-10)6-14-7-11(15)12(13)16/h2-5,11,14-15H,6-8H2,1H3,(H2,13,16)
InChIKeyVUSJBDSYTMUIOA-UHFFFAOYSA-N
XLogP-0.23
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[(4-methoxyphenyl)methylamino]propanamide
CID 106170843
(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 103884134
2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 106170579
2-hydroxy-3-[(4-pentoxyphenyl)methylamino]propanamide
CID 106171142
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
2-hydroxy-3-[(3-hydroxyphenyl)methylamino]propanamide
CID 106170564
2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 106171242
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylsulfinylpropan-1-amine
CID 115764049
3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide
CID 106171023
3-[(3-bromo-4-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106171977
[4-(methoxymethyl)phenyl]methyl carbamate
CID 175563517
methyl 3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylpropanoate
CID 107231032

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide (CID 106170747) is 2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide is COCc1ccc(CNCC(O)C(N)=O)cc1.
What is the InChIKey of 2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide?
The InChIKey is VUSJBDSYTMUIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-17-8-10-4-2-9(3-5-10)6-14-7-11(15)12(13)16/h2-5,11,14-15H,6-8H2,1H3,(H2,13,16).
What are the key properties of 2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide?
2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide has a molecular weight of 238.29 g/mol, XLogP of -0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide is sourced from PubChem (CID 106170747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).