N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide

C26H34FN3O3 — CID 42862506

IUPACN-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(CCN1CCOCC1)CC1CN(Cc2ccc(F)cc2)CCO1
InChIInChI=1S/C26H34FN3O3/c27-24-8-6-23(7-9-24)19-29-14-17-33-25(20-29)21-30(11-10-28-12-15-32-16-13-28)26(31)18-22-4-2-1-3-5-22/h1-9,25H,10-21H2
InChIKeyNYCCQBNNHAXBHY-UHFFFAOYSA-N
MW455.57 g/mol
LogP2.43
Rot. Bonds9

About N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide

N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide (PubChem CID 42862506) has the molecular formula C26H34FN3O3 and a molecular weight of 455.57 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
PubChem CID42862506
Molecular FormulaC26H34FN3O3
Molecular Weight455.57 g/mol
Exact Mass455.26
IUPAC NameN-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N(CCN1CCOCC1)CC1CN(Cc2ccc(F)cc2)CCO1
InChIInChI=1S/C26H34FN3O3/c27-24-8-6-23(7-9-24)19-29-14-17-33-25(20-29)21-30(11-10-28-12-15-32-16-13-28)26(31)18-22-4-2-1-3-5-22/h1-9,25H,10-21H2
InChIKeyNYCCQBNNHAXBHY-UHFFFAOYSA-N
XLogP2.43
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate
CID 42862384
N-[[4-[(3,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 42862133
4-fluoro-N-[[4-(2-hydroxypropyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862335
N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42862483
N-[[4-(furan-2-ylmethyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 42849325
4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 46041263
N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 100900073
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 42861929
3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861962
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
(2R)-4-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 92984963
N-[[4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 46060357

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide (CID 42862506) is N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide is O=C(Cc1ccccc1)N(CCN1CCOCC1)CC1CN(Cc2ccc(F)cc2)CCO1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide?
The InChIKey is NYCCQBNNHAXBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O3/c27-24-8-6-23(7-9-24)19-29-14-17-33-25(20-29)21-30(11-10-28-12-15-32-16-13-28)26(31)18-22-4-2-1-3-5-22/h1-9,25H,10-21H2.
What are the key properties of N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide?
N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide has a molecular weight of 455.57 g/mol, XLogP of 2.43, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide is sourced from PubChem (CID 42862506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).