N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide

C20H24N2O3 — CID 70704015

IUPACN-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide
SMILESCc1ccc(OCCNC(=O)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-16-2-8-19(9-3-16)25-13-10-21-20(23)17-4-6-18(7-5-17)22-11-14-24-15-12-22/h2-9H,10-15H2,1H3,(H,21,23)
InChIKeyZLEHJGXPTMFDDB-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.64
Rot. Bonds6

About N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide

N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide (PubChem CID 70704015) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide
PubChem CID70704015
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide
SMILESCc1ccc(OCCNC(=O)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-16-2-8-19(9-3-16)25-13-10-21-20(23)17-4-6-18(7-5-17)22-11-14-24-15-12-22/h2-9H,10-15H2,1H3,(H,21,23)
InChIKeyZLEHJGXPTMFDDB-UHFFFAOYSA-N
XLogP2.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 9456726
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
3-morpholin-4-yl-N-(2-phenoxyethyl)benzamide
CID 117088247
N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957
N-[3-(4-methoxyphenyl)propyl]-4-morpholin-4-ylbenzamide
CID 70702781
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 56921966
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(2-morpholin-4-ylethyl)-4-propoxybenzamide chloride
CID 53352023
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
CID 110474046
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 27173584
N-[2-(4-methylphenoxy)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969585
4-morpholin-4-yl-N-[2-(1,2,4-triazol-4-yl)ethyl]benzamide
CID 138035822

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide (CID 70704015) is N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide is Cc1ccc(OCCNC(=O)c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide?
The InChIKey is ZLEHJGXPTMFDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-16-2-8-19(9-3-16)25-13-10-21-20(23)17-4-6-18(7-5-17)22-11-14-24-15-12-22/h2-9H,10-15H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide?
N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 70704015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).