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

C12H18N2O3 — CID 106170555

IUPAC2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccc(C(C)NCC(O)C(N)=O)cc1
InChIInChI=1S/C12H18N2O3/c1-8(14-7-11(15)12(13)16)9-3-5-10(17-2)6-4-9/h3-6,8,11,14-15H,7H2,1-2H3,(H2,13,16)
InChIKeyBRPNRIAXUMPTSV-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.19
Rot. Bonds6

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

2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide (PubChem CID 106170555) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide
PubChem CID106170555
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide
SMILESCOc1ccc(C(C)NCC(O)C(N)=O)cc1
InChIInChI=1S/C12H18N2O3/c1-8(14-7-11(15)12(13)16)9-3-5-10(17-2)6-4-9/h3-6,8,11,14-15H,7H2,1-2H3,(H2,13,16)
InChIKeyBRPNRIAXUMPTSV-UHFFFAOYSA-N
XLogP0.19
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide
CID 106171785
methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate
CID 66244071
1,3-bis[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 71136549
2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide
CID 114153568
3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide
CID 106170973
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide
CID 107260916
2-hydroxy-3-[(4-methoxyphenyl)methylamino]propanamide
CID 106170843
1-(4-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347393
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
CID 81356620
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 81370465
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81371329

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide (CID 106170555) is 2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide is COc1ccc(C(C)NCC(O)C(N)=O)cc1.
What is the InChIKey of 2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide?
The InChIKey is BRPNRIAXUMPTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(14-7-11(15)12(13)16)9-3-5-10(17-2)6-4-9/h3-6,8,11,14-15H,7H2,1-2H3,(H2,13,16).
What are the key properties of 2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide?
2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[1-(4-methoxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 106170555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).