N-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide

C12H18N2O3 — CID 171858433

IUPACN-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide
SMILESCNCC(O)C(O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C12H18N2O3/c1-8(15)14-10-5-3-4-9(6-10)12(17)11(16)7-13-2/h3-6,11-13,16-17H,7H2,1-2H3,(H,14,15)
InChIKeyWLOOKYMZXUGIBJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.26
Rot. Bonds5

About N-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide

N-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide (PubChem CID 171858433) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide
PubChem CID171858433
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide
SMILESCNCC(O)C(O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C12H18N2O3/c1-8(15)14-10-5-3-4-9(6-10)12(17)11(16)7-13-2/h3-6,11-13,16-17H,7H2,1-2H3,(H,14,15)
InChIKeyWLOOKYMZXUGIBJ-UHFFFAOYSA-N
XLogP0.26
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea
CID 171858335
3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol
CID 171857694
N-[3-(4-chloro-1,2-dihydroxybutyl)phenyl]acetamide
CID 171894292
1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol
CID 171859200
1-[3-(difluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171857797
1-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]cyclopropane-1-carboxylic acid
CID 171858743
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-(1-amino-2-hydroxyethyl)phenyl]acetamide
CID 55296718
N-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide
CID 66516552
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
N-[2,3-dihydroxy-3-[3-(hydroxymethyl)phenyl]propyl]acetamide
CID 170829679
N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide
CID 62638247

Frequently Asked Questions

What is the IUPAC name of N-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide?
The IUPAC name of N-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide (CID 171858433) is N-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide is CNCC(O)C(O)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide?
The InChIKey is WLOOKYMZXUGIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(15)14-10-5-3-4-9(6-10)12(17)11(16)7-13-2/h3-6,11-13,16-17H,7H2,1-2H3,(H,14,15).
What are the key properties of N-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide?
N-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide is sourced from PubChem (CID 171858433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).