N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide

C17H18N2O3 — CID 3043789

IUPACN-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide
SMILESCC(NC(=O)c1ccccc1O)C(=O)NCc1ccccc1
InChIInChI=1S/C17H18N2O3/c1-12(16(21)18-11-13-7-3-2-4-8-13)19-17(22)14-9-5-6-10-15(14)20/h2-10,12,20H,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyRHIMPAXATDSVCU-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.83
Rot. Bonds5

About N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide

N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide (PubChem CID 3043789) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide
PubChem CID3043789
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide
SMILESCC(NC(=O)c1ccccc1O)C(=O)NCc1ccccc1
InChIInChI=1S/C17H18N2O3/c1-12(16(21)18-11-13-7-3-2-4-8-13)19-17(22)14-9-5-6-10-15(14)20/h2-10,12,20H,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyRHIMPAXATDSVCU-UHFFFAOYSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide?
The IUPAC name of N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide (CID 3043789) is N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide?
The canonical SMILES for N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide is CC(NC(=O)c1ccccc1O)C(=O)NCc1ccccc1.
What is the InChIKey of N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide?
The InChIKey is RHIMPAXATDSVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12(16(21)18-11-13-7-3-2-4-8-13)19-17(22)14-9-5-6-10-15(14)20/h2-10,12,20H,11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide?
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide has a molecular weight of 298.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide is sourced from PubChem (CID 3043789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).