2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

C24H33N3O3 — CID 24507691

IUPAC2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESCc1ccc(OCCN(C)CC(=O)NCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C24H33N3O3/c1-20-7-9-23(10-8-20)30-16-11-26(2)19-24(28)25-17-21-5-3-4-6-22(21)18-27-12-14-29-15-13-27/h3-10H,11-19H2,1-2H3,(H,25,28)
InChIKeyLWQUUFHTIKTVCE-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.45
Rot. Bonds10

About 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 24507691) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID24507691
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESCc1ccc(OCCN(C)CC(=O)NCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C24H33N3O3/c1-20-7-9-23(10-8-20)30-16-11-26(2)19-24(28)25-17-21-5-3-4-6-22(21)18-27-12-14-29-15-13-27/h3-10H,11-19H2,1-2H3,(H,25,28)
InChIKeyLWQUUFHTIKTVCE-UHFFFAOYSA-N
XLogP2.45
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86914351
N-[(2-methoxyphenyl)methyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 41416179
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 31644615
4-butoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55396567
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
CID 51207835
4-ethoxy-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481299
1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(3-phenoxypropyl)urea
CID 36524900
4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 94134123
N-[(2-chlorophenyl)methyl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 9333391
2-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60668732

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 24507691) is 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is Cc1ccc(OCCN(C)CC(=O)NCc2ccccc2CN2CCOCC2)cc1.
What is the InChIKey of 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is LWQUUFHTIKTVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-20-7-9-23(10-8-20)30-16-11-26(2)19-24(28)25-17-21-5-3-4-6-22(21)18-27-12-14-29-15-13-27/h3-10H,11-19H2,1-2H3,(H,25,28).
What are the key properties of 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 411.55 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 24507691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).