2-[[[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide

C22H34FN5O3 — CID 110044135

IUPAC2-[[[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC1CN(/C(=N/CC(=O)N(C)C)NCCN2CCOCC2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C22H34FN5O3/c1-17-15-28(16-20(31-17)18-4-6-19(23)7-5-18)22(25-14-21(29)26(2)3)24-8-9-27-10-12-30-13-11-27/h4-7,17,20H,8-16H2,1-3H3,(H,24,25)
InChIKeyVRPZLSJZTFRFHE-UHFFFAOYSA-N
MW435.54 g/mol
LogP0.95
Rot. Bonds6

About 2-[[[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110044135) has the molecular formula C22H34FN5O3 and a molecular weight of 435.54 g/mol. Its IUPAC name is 2-[[[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110044135
Molecular FormulaC22H34FN5O3
Molecular Weight435.54 g/mol
Exact Mass435.26
IUPAC Name2-[[[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC1CN(/C(=N/CC(=O)N(C)C)NCCN2CCOCC2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C22H34FN5O3/c1-17-15-28(16-20(31-17)18-4-6-19(23)7-5-18)22(25-14-21(29)26(2)3)24-8-9-27-10-12-30-13-11-27/h4-7,17,20H,8-16H2,1-3H3,(H,24,25)
InChIKeyVRPZLSJZTFRFHE-UHFFFAOYSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044132
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110040030
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-(4-phenoxypiperidin-1-yl)methylidene]amino]acetamide
CID 110042829
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide
CID 111723403
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methylidene]amino]acetamide
CID 110038625
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110961770
N,N-dimethyl-2-[[[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
CID 111741763
2-[[[4-(cyclopentylmethoxy)piperidin-1-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043461
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(2-propan-2-ylthiomorpholin-4-yl)methylidene]amino]acetamide
CID 110044535
2-[[[4-(4-methoxyphenyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111243155
2-[[[4-(furan-2-carbonyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111167016
2-[[(cyclopent-3-en-1-ylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047200

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110044135) is 2-[[[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide is CC1CN(/C(=N/CC(=O)N(C)C)NCCN2CCOCC2)CC(c2ccc(F)cc2)O1.
What is the InChIKey of 2-[[[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is VRPZLSJZTFRFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN5O3/c1-17-15-28(16-20(31-17)18-4-6-19(23)7-5-18)22(25-14-21(29)26(2)3)24-8-9-27-10-12-30-13-11-27/h4-7,17,20H,8-16H2,1-3H3,(H,24,25).
What are the key properties of 2-[[[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 435.54 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110044135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).