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

C26H29N3O3 — CID 60616616

IUPAC2-(N-methyl-4-phenoxyanilino)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H29N3O3/c1-28(23-11-13-25(14-12-23)32-24-5-3-2-4-6-24)20-26(30)27-22-9-7-21(8-10-22)19-29-15-17-31-18-16-29/h2-14H,15-20H2,1H3,(H,27,30)
InChIKeyXKLMHWWHYUJPMG-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.39
Rot. Bonds8

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

2-(N-methyl-4-phenoxyanilino)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 60616616) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(N-methyl-4-phenoxyanilino)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-methyl-4-phenoxyanilino)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
PubChem CID60616616
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name2-(N-methyl-4-phenoxyanilino)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H29N3O3/c1-28(23-11-13-25(14-12-23)32-24-5-3-2-4-6-24)20-26(30)27-22-9-7-21(8-10-22)19-29-15-17-31-18-16-29/h2-14H,15-20H2,1H3,(H,27,30)
InChIKeyXKLMHWWHYUJPMG-UHFFFAOYSA-N
XLogP4.39
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[N-methyl-4-(morpholin-4-ylmethyl)anilino]acetate
CID 82538034
2-[benzyl(propyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 29233711
4-[[4-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]azepan-1-yl]methyl]benzoic acid
CID 44567833
4-[[4-[[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid
CID 69402446
2-[(2-chlorophenyl)methyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26623732
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenoxypropanamide
CID 30308724
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26628380
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 37058185
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 8682147
4-[[4-[methyl-[2-oxo-2-[4-(4-pyrrol-1-ylphenoxy)anilino]ethyl]amino]piperidin-1-yl]methyl]benzoic acid
CID 69410266
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694

Frequently Asked Questions

What is the IUPAC name of 2-(N-methyl-4-phenoxyanilino)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(N-methyl-4-phenoxyanilino)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (CID 60616616) is 2-(N-methyl-4-phenoxyanilino)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-methyl-4-phenoxyanilino)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-methyl-4-phenoxyanilino)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is CN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(N-methyl-4-phenoxyanilino)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is XKLMHWWHYUJPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-28(23-11-13-25(14-12-23)32-24-5-3-2-4-6-24)20-26(30)27-22-9-7-21(8-10-22)19-29-15-17-31-18-16-29/h2-14H,15-20H2,1H3,(H,27,30).
What are the key properties of 2-(N-methyl-4-phenoxyanilino)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
2-(N-methyl-4-phenoxyanilino)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methyl-4-phenoxyanilino)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 60616616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).