N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide

C25H34N2O4 — CID 45155088

IUPACN-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCC(c1ccc(C(C)(C)C)cc1)N1CCOCC1
InChIInChI=1S/C25H34N2O4/c1-25(2,3)20-11-9-19(10-12-20)21(27-13-15-30-16-14-27)17-26-24(28)18-31-23-8-6-5-7-22(23)29-4/h5-12,21H,13-18H2,1-4H3,(H,26,28)
InChIKeyBLKGCIIHAWPROQ-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.56
Rot. Bonds8

About N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide

N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 45155088) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID45155088
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC NameN-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCC(c1ccc(C(C)(C)C)cc1)N1CCOCC1
InChIInChI=1S/C25H34N2O4/c1-25(2,3)20-11-9-19(10-12-20)21(27-13-15-30-16-14-27)17-26-24(28)18-31-23-8-6-5-7-22(23)29-4/h5-12,21H,13-18H2,1-4H3,(H,26,28)
InChIKeyBLKGCIIHAWPROQ-UHFFFAOYSA-N
XLogP3.56
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 17014506
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 26819379
2-(2-methoxyphenoxy)-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 29341504
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 18111373
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 34954966
2-(2-fluorophenoxy)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 7833134
2-(2-chlorophenoxy)-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 45155134
2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 112504392
N-(2-morpholin-4-yl-2-phenylethyl)-2-naphthalen-1-yloxyacetamide
CID 42948411
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 7496561
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 44892270
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 30834808

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide (CID 45155088) is N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCC(c1ccc(C(C)(C)C)cc1)N1CCOCC1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is BLKGCIIHAWPROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-25(2,3)20-11-9-19(10-12-20)21(27-13-15-30-16-14-27)17-26-24(28)18-31-23-8-6-5-7-22(23)29-4/h5-12,21H,13-18H2,1-4H3,(H,26,28).
What are the key properties of N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide?
N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 426.56 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 45155088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).