N-[1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]propanamide

C12H17N2O5- — CID 163155483

IUPACN-[1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]propanamide
SMILESCCC(=O)NC(CO)C(O)c1ccc(N([O-])O)cc1
InChIInChI=1S/C12H17N2O5/c1-2-11(16)13-10(7-15)12(17)8-3-5-9(6-4-8)14(18)19/h3-6,10,12,15,17-18H,2,7H2,1H3,(H,13,16)/q-1
InChIKeyNRZYESWBQIUNFI-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.30
Rot. Bonds6

About N-[1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]propanamide

N-[1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]propanamide (PubChem CID 163155483) has the molecular formula C12H17N2O5- and a molecular weight of 269.28 g/mol. Its IUPAC name is N-[1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]propanamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]propanamide
PubChem CID163155483
Molecular FormulaC12H17N2O5-
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC NameN-[1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]propanamide
SMILESCCC(=O)NC(CO)C(O)c1ccc(N([O-])O)cc1
InChIInChI=1S/C12H17N2O5/c1-2-11(16)13-10(7-15)12(17)8-3-5-9(6-4-8)14(18)19/h3-6,10,12,15,17-18H,2,7H2,1H3,(H,13,16)/q-1
InChIKeyNRZYESWBQIUNFI-UHFFFAOYSA-N
XLogP0.30
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]acetamide
CID 163165268
(1R,5R)-2-[1-[[(1R,2R)-1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]amino]ethylidene]-6,6-dimethylbicyclo[3.1.0]hexan-3-one
CID 163132044
4-[(1R,2R)-2-acetamido-1,3-dihydroxypropyl]-N-hydroxybenzeneamine oxide
CID 163165267
N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide
CID 11735943
4-[[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-4-oxobutanoate
CID 7025313
N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
CID 4335
N-[(1S,2S)-1,3-dihydroxy-1-(4-methoxyphenyl)propan-2-yl]acetamide
CID 129411973
N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methylprop-2-enamide
CID 101364759
N-[(1S,2R)-1,3-dihydroxy-1-(4-methoxyphenyl)propan-2-yl]acetamide
CID 129411974
N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 54852716
2,2-dichloro-N-[1-(4-chlorophenyl)-1,3-dihydroxypropan-2-yl]acetamide
CID 23274982
ethyl N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]carbamate
CID 10924124

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]propanamide?
The IUPAC name of N-[1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]propanamide (CID 163155483) is N-[1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]propanamide.
What is the SMILES notation for N-[1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]propanamide?
The canonical SMILES for N-[1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]propanamide is CCC(=O)NC(CO)C(O)c1ccc(N([O-])O)cc1.
What is the InChIKey of N-[1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]propanamide?
The InChIKey is NRZYESWBQIUNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N2O5/c1-2-11(16)13-10(7-15)12(17)8-3-5-9(6-4-8)14(18)19/h3-6,10,12,15,17-18H,2,7H2,1H3,(H,13,16)/q-1.
What are the key properties of N-[1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]propanamide?
N-[1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]propanamide has a molecular weight of 269.28 g/mol, XLogP of 0.30, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-1-[4-[hydroxy(oxido)amino]phenyl]propan-2-yl]propanamide is sourced from PubChem (CID 163155483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).