N-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide

C18H20N2O4 — CID 118197578

IUPACN-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide
SMILESO=C(Cc1ccc(C(=O)NO)cc1)NC(CO)Cc1ccccc1
InChIInChI=1S/C18H20N2O4/c21-12-16(10-13-4-2-1-3-5-13)19-17(22)11-14-6-8-15(9-7-14)18(23)20-24/h1-9,16,21,24H,10-12H2,(H,19,22)(H,20,23)
InChIKeyADCKCZRWNHGMEO-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.07
Rot. Bonds7

About N-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide

N-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 118197578) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID118197578
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide
SMILESO=C(Cc1ccc(C(=O)NO)cc1)NC(CO)Cc1ccccc1
InChIInChI=1S/C18H20N2O4/c21-12-16(10-13-4-2-1-3-5-13)19-17(22)11-14-6-8-15(9-7-14)18(23)20-24/h1-9,16,21,24H,10-12H2,(H,19,22)(H,20,23)
InChIKeyADCKCZRWNHGMEO-UHFFFAOYSA-N
XLogP1.07
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
CID 102673740
N-(1-bromo-3-phenylpropan-2-yl)-2-phenylacetamide
CID 114311192
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyridin-3-ylacetamide
CID 102673691
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2,4,5-trifluorophenyl)acetamide
CID 99780548
N-(1-hydroxy-3-phenylpropan-2-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 109387993
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549
3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 95040090

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide (CID 118197578) is N-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide is O=C(Cc1ccc(C(=O)NO)cc1)NC(CO)Cc1ccccc1.
What is the InChIKey of N-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is ADCKCZRWNHGMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-12-16(10-13-4-2-1-3-5-13)19-17(22)11-14-6-8-15(9-7-14)18(23)20-24/h1-9,16,21,24H,10-12H2,(H,19,22)(H,20,23).
What are the key properties of N-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide?
N-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 328.37 g/mol, XLogP of 1.07, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 118197578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).