N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-phenoxyethoxy)acetamide

C24H32N2O4 — CID 60508526

IUPACN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-phenoxyethoxy)acetamide
SMILESCC1CN(Cc2ccc(CNC(=O)COCCOc3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C24H32N2O4/c1-19-15-26(16-20(2)30-19)17-22-10-8-21(9-11-22)14-25-24(27)18-28-12-13-29-23-6-4-3-5-7-23/h3-11,19-20H,12-18H2,1-2H3,(H,25,27)
InChIKeyXXRCWLVWGNMTFG-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.01
Rot. Bonds10

About N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-phenoxyethoxy)acetamide

N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-phenoxyethoxy)acetamide (PubChem CID 60508526) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-phenoxyethoxy)acetamide
PubChem CID60508526
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-phenoxyethoxy)acetamide
SMILESCC1CN(Cc2ccc(CNC(=O)COCCOc3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C24H32N2O4/c1-19-15-26(16-20(2)30-19)17-22-10-8-21(9-11-22)14-25-24(27)18-28-12-13-29-23-6-4-3-5-7-23/h3-11,19-20H,12-18H2,1-2H3,(H,25,27)
InChIKeyXXRCWLVWGNMTFG-UHFFFAOYSA-N
XLogP3.01
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 55637143
N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide
CID 48502857
1-benzyl-3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylguanidine
CID 110955004
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide
CID 55638698
2-[cyclopropyl(methyl)amino]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide
CID 60503915
3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
CID 46449436
1-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(2-phenylethyl)thiourea
CID 55639634
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
CID 46449419
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 55637021
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-phenoxyacetamide
CID 29298053
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-phenoxyacetamide
CID 55801489
4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 36642356

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-phenoxyethoxy)acetamide?
The IUPAC name of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-phenoxyethoxy)acetamide (CID 60508526) is N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-phenoxyethoxy)acetamide?
The canonical SMILES for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-phenoxyethoxy)acetamide is CC1CN(Cc2ccc(CNC(=O)COCCOc3ccccc3)cc2)CC(C)O1.
What is the InChIKey of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-phenoxyethoxy)acetamide?
The InChIKey is XXRCWLVWGNMTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-19-15-26(16-20(2)30-19)17-22-10-8-21(9-11-22)14-25-24(27)18-28-12-13-29-23-6-4-3-5-7-23/h3-11,19-20H,12-18H2,1-2H3,(H,25,27).
What are the key properties of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-phenoxyethoxy)acetamide?
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-phenoxyethoxy)acetamide has a molecular weight of 412.53 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 60508526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).