N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide

C23H30N2O3 — CID 131951452

IUPACN-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide
SMILESCc1cc(C)cc(OCCCN(C)C(=O)c2ccccc2N2CCOCC2)c1
InChIInChI=1S/C23H30N2O3/c1-18-15-19(2)17-20(16-18)28-12-6-9-24(3)23(26)21-7-4-5-8-22(21)25-10-13-27-14-11-25/h4-5,7-8,15-17H,6,9-14H2,1-3H3
InChIKeyKWAFKOQFANHNBV-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.68
Rot. Bonds7

About N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide

N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide (PubChem CID 131951452) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide
PubChem CID131951452
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide
SMILESCc1cc(C)cc(OCCCN(C)C(=O)c2ccccc2N2CCOCC2)c1
InChIInChI=1S/C23H30N2O3/c1-18-15-19(2)17-20(16-18)28-12-6-9-24(3)23(26)21-7-4-5-8-22(21)25-10-13-27-14-11-25/h4-5,7-8,15-17H,6,9-14H2,1-3H3
InChIKeyKWAFKOQFANHNBV-UHFFFAOYSA-N
XLogP3.68
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
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-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide (CID 131951452) is N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide is Cc1cc(C)cc(OCCCN(C)C(=O)c2ccccc2N2CCOCC2)c1.
What is the InChIKey of N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide?
The InChIKey is KWAFKOQFANHNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-18-15-19(2)17-20(16-18)28-12-6-9-24(3)23(26)21-7-4-5-8-22(21)25-10-13-27-14-11-25/h4-5,7-8,15-17H,6,9-14H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide?
N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide has a molecular weight of 382.50 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 131951452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).