N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide

C11H16N2O3 — CID 168596792

IUPACN-[2-(2,3-dihydroxypropylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1NCC(O)CO
InChIInChI=1S/C11H16N2O3/c1-8(15)13-11-5-3-2-4-10(11)12-6-9(16)7-14/h2-5,9,12,14,16H,6-7H2,1H3,(H,13,15)
InChIKeyPXHBGVNVDSBJEM-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.41
Rot. Bonds5

About N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide

N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide (PubChem CID 168596792) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroxypropylamino)phenyl]acetamide
PubChem CID168596792
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[2-(2,3-dihydroxypropylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1NCC(O)CO
InChIInChI=1S/C11H16N2O3/c1-8(15)13-11-5-3-2-4-10(11)12-6-9(16)7-14/h2-5,9,12,14,16H,6-7H2,1H3,(H,13,15)
InChIKeyPXHBGVNVDSBJEM-UHFFFAOYSA-N
XLogP0.41
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide
CID 168593503
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963
3-(3-bromo-2-methylanilino)propane-1,2-diol
CID 107633538
(2S)-3-(2,3-dichloroanilino)propane-1,2-diol
CID 61143030
3-[2-(3-hydroxypentan-3-yl)anilino]propane-1,2-diol
CID 168596692
3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol
CID 168596052
1-[4-bromo-3-(2,3-dihydroxypropylamino)phenyl]ethanone
CID 168594040
3-(2-butoxyanilino)propane-1,2-diol
CID 168594733
2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide
CID 168596784
methyl 3-(2,3-dihydroxypropylamino)-2-hydroxybenzoate
CID 168597109
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide
CID 168636852
3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol
CID 66177121

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide?
The IUPAC name of N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide (CID 168596792) is N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide?
The canonical SMILES for N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide is CC(=O)Nc1ccccc1NCC(O)CO.
What is the InChIKey of N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide?
The InChIKey is PXHBGVNVDSBJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(15)13-11-5-3-2-4-10(11)12-6-9(16)7-14/h2-5,9,12,14,16H,6-7H2,1H3,(H,13,15).
What are the key properties of N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide?
N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide has a molecular weight of 224.26 g/mol, XLogP of 0.41, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide is sourced from PubChem (CID 168596792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).