N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide

C27H30N2O4 — CID 55970132

IUPACN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C27H30N2O4/c30-27(28-18-23-7-4-8-24(17-23)19-29-13-15-31-16-14-29)21-33-26-11-9-25(10-12-26)32-20-22-5-2-1-3-6-22/h1-12,17H,13-16,18-21H2,(H,28,30)
InChIKeyBQRALDSERKEXLU-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.79
Rot. Bonds10

About N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide

N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide (PubChem CID 55970132) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
PubChem CID55970132
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C27H30N2O4/c30-27(28-18-23-7-4-8-24(17-23)19-29-13-15-31-16-14-29)21-33-26-11-9-25(10-12-26)32-20-22-5-2-1-3-6-22/h1-12,17H,13-16,18-21H2,(H,28,30)
InChIKeyBQRALDSERKEXLU-UHFFFAOYSA-N
XLogP3.79
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55969614
2-(4-anilinophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 24652273
4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 94134123
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 24518315
N-(2-morpholin-4-ylpropyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 55612253
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
CID 75814355
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylmethoxyacetamide
CID 134015077
3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119847390
2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807

Frequently Asked Questions

What is the IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide?
The IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide (CID 55970132) is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide.
What is the SMILES notation for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide?
The canonical SMILES for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide is O=C(COc1ccc(OCc2ccccc2)cc1)NCc1cccc(CN2CCOCC2)c1.
What is the InChIKey of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide?
The InChIKey is BQRALDSERKEXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c30-27(28-18-23-7-4-8-24(17-23)19-29-13-15-31-16-14-29)21-33-26-11-9-25(10-12-26)32-20-22-5-2-1-3-6-22/h1-12,17H,13-16,18-21H2,(H,28,30).
What are the key properties of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide?
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide has a molecular weight of 446.55 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide is sourced from PubChem (CID 55970132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).