N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide

C12H18N2O2 — CID 120704917

IUPACN-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide
SMILESCNCC(=O)NCC(CO)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-13-8-12(16)14-7-11(9-15)10-5-3-2-4-6-10/h2-6,11,13,15H,7-9H2,1H3,(H,14,16)
InChIKeyFJSVAYJXZRJGRT-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.10
Rot. Bonds6

About N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide

N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide (PubChem CID 120704917) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide
PubChem CID120704917
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide
SMILESCNCC(=O)NCC(CO)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-13-8-12(16)14-7-11(9-15)10-5-3-2-4-6-10/h2-6,11,13,15H,7-9H2,1H3,(H,14,16)
InChIKeyFJSVAYJXZRJGRT-UHFFFAOYSA-N
XLogP0.10
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethylsulfanyl-N-[(2S)-3-hydroxy-2-phenylpropyl]propanamide
CID 95973650
N-(3,3-diphenylpropyl)-2-(methylamino)acetamide;hydrochloride
CID 119675915
N-[2-oxo-2-(2-phenylbutylamino)ethyl]-2-phenylacetamide
CID 51252058
3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide
CID 96529266
3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61159316
N-(2,2-dimethyl-1-phenylpropyl)-2-(methylamino)acetamide
CID 43705369
4-[(3-hydroxy-2-phenylpropyl)carbamoylamino]butanoic acid
CID 122022299
3-(2-methylpropylamino)-2-phenylpropan-1-ol
CID 115876691
2-bromo-N-[(2S)-3-hydroxy-2-phenylpropyl]-3-methylbenzamide
CID 124572255
2-(methylamino)-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119693512
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(methylamino)acetamide
CID 119755074
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide?
The IUPAC name of N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide (CID 120704917) is N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide is CNCC(=O)NCC(CO)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide?
The InChIKey is FJSVAYJXZRJGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-8-12(16)14-7-11(9-15)10-5-3-2-4-6-10/h2-6,11,13,15H,7-9H2,1H3,(H,14,16).
What are the key properties of N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide?
N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide is sourced from PubChem (CID 120704917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).