N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxybenzamide

C20H24N2O4 — CID 4314757

IUPACN-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxybenzamide
SMILESCCOCCCNC(=O)C(NC(=O)c1ccccc1O)c1ccccc1
InChIInChI=1S/C20H24N2O4/c1-2-26-14-8-13-21-20(25)18(15-9-4-3-5-10-15)22-19(24)16-11-6-7-12-17(16)23/h3-7,9-12,18,23H,2,8,13-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyXMPQHWJCIKZCER-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.41
Rot. Bonds9

About N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxybenzamide

N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxybenzamide (PubChem CID 4314757) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxybenzamide
PubChem CID4314757
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxybenzamide
SMILESCCOCCCNC(=O)C(NC(=O)c1ccccc1O)c1ccccc1
InChIInChI=1S/C20H24N2O4/c1-2-26-14-8-13-21-20(25)18(15-9-4-3-5-10-15)22-19(24)16-11-6-7-12-17(16)23/h3-7,9-12,18,23H,2,8,13-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyXMPQHWJCIKZCER-UHFFFAOYSA-N
XLogP2.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxybenzamide?
The IUPAC name of N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxybenzamide (CID 4314757) is N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxybenzamide is CCOCCCNC(=O)C(NC(=O)c1ccccc1O)c1ccccc1.
What is the InChIKey of N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxybenzamide?
The InChIKey is XMPQHWJCIKZCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-2-26-14-8-13-21-20(25)18(15-9-4-3-5-10-15)22-19(24)16-11-6-7-12-17(16)23/h3-7,9-12,18,23H,2,8,13-14H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxybenzamide?
N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxybenzamide has a molecular weight of 356.42 g/mol, XLogP of 2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxypropylamino)-2-oxo-1-phenylethyl]-2-hydroxybenzamide is sourced from PubChem (CID 4314757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).