N-[1-(4-fluorophenyl)butylideneamino]-2-morpholin-4-ylacetamide

C16H22FN3O2 — CID 5059049

IUPACN-[1-(4-fluorophenyl)butylideneamino]-2-morpholin-4-ylacetamide
SMILESCCCC(=NNC(=O)CN1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C16H22FN3O2/c1-2-3-15(13-4-6-14(17)7-5-13)18-19-16(21)12-20-8-10-22-11-9-20/h4-7H,2-3,8-12H2,1H3,(H,19,21)
InChIKeySMMHBHIHGAWOSG-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.78
Rot. Bonds6

About N-[1-(4-fluorophenyl)butylideneamino]-2-morpholin-4-ylacetamide

N-[1-(4-fluorophenyl)butylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 5059049) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)butylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)butylideneamino]-2-morpholin-4-ylacetamide
PubChem CID5059049
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC NameN-[1-(4-fluorophenyl)butylideneamino]-2-morpholin-4-ylacetamide
SMILESCCCC(=NNC(=O)CN1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C16H22FN3O2/c1-2-3-15(13-4-6-14(17)7-5-13)18-19-16(21)12-20-8-10-22-11-9-20/h4-7H,2-3,8-12H2,1H3,(H,19,21)
InChIKeySMMHBHIHGAWOSG-UHFFFAOYSA-N
XLogP1.78
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(4-fluorophenyl)butylideneamino]-2-piperidin-1-ylacetamide
CID 6154621
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 2534176
N-[(Z)-1-(4-bromophenyl)butylideneamino]-2-morpholin-4-ium-4-ylacetamide
CID 7431816
2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide
CID 8975823
N-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061106
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5426268
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 95989208
1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one
CID 62973974
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylacetamide
CID 110444227
N-(4-fluorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 1091485
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-morpholin-4-ylacetamide
CID 75124053

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)butylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[1-(4-fluorophenyl)butylideneamino]-2-morpholin-4-ylacetamide (CID 5059049) is N-[1-(4-fluorophenyl)butylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)butylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)butylideneamino]-2-morpholin-4-ylacetamide is CCCC(=NNC(=O)CN1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)butylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is SMMHBHIHGAWOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-2-3-15(13-4-6-14(17)7-5-13)18-19-16(21)12-20-8-10-22-11-9-20/h4-7H,2-3,8-12H2,1H3,(H,19,21).
What are the key properties of N-[1-(4-fluorophenyl)butylideneamino]-2-morpholin-4-ylacetamide?
N-[1-(4-fluorophenyl)butylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 307.37 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)butylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 5059049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).