N-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide

C20H22N2O4 — CID 60522738

IUPACN-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide
SMILESO=C(COc1cccc(C(=O)NC2CC2)c1)NCCOc1ccccc1
InChIInChI=1S/C20H22N2O4/c23-19(21-11-12-25-17-6-2-1-3-7-17)14-26-18-8-4-5-15(13-18)20(24)22-16-9-10-16/h1-8,13,16H,9-12,14H2,(H,21,23)(H,22,24)
InChIKeyMZWRAATWZGFHMN-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.15
Rot. Bonds9

About N-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide

N-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide (PubChem CID 60522738) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide
PubChem CID60522738
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide
SMILESO=C(COc1cccc(C(=O)NC2CC2)c1)NCCOc1ccccc1
InChIInChI=1S/C20H22N2O4/c23-19(21-11-12-25-17-6-2-1-3-7-17)14-26-18-8-4-5-15(13-18)20(24)22-16-9-10-16/h1-8,13,16H,9-12,14H2,(H,21,23)(H,22,24)
InChIKeyMZWRAATWZGFHMN-UHFFFAOYSA-N
XLogP2.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[2-(2-methylanilino)-2-oxoethoxy]benzamide
CID 87021689
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
4-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229681
N-cyclohexyl-3-propoxybenzamide
CID 4960053
methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 42157013
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
N-(4-bromocyclohexyl)-3-propoxybenzamide
CID 114308980
N-[1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidin-4-yl]benzamide
CID 17432373
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
3-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,3-dicarboxamide
CID 109051864
3-(2-aminoethoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 118793810
2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide
CID 35057390

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide?
The IUPAC name of N-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide (CID 60522738) is N-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide?
The canonical SMILES for N-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide is O=C(COc1cccc(C(=O)NC2CC2)c1)NCCOc1ccccc1.
What is the InChIKey of N-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide?
The InChIKey is MZWRAATWZGFHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-19(21-11-12-25-17-6-2-1-3-7-17)14-26-18-8-4-5-15(13-18)20(24)22-16-9-10-16/h1-8,13,16H,9-12,14H2,(H,21,23)(H,22,24).
What are the key properties of N-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide?
N-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-oxo-2-(2-phenoxyethylamino)ethoxy]benzamide is sourced from PubChem (CID 60522738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).