N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide

C15H21FN2O3 — CID 119695885

IUPACN-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide
SMILESO=C(NCCCCOc1ccc(F)cc1)C1COCCN1
InChIInChI=1S/C15H21FN2O3/c16-12-3-5-13(6-4-12)21-9-2-1-7-18-15(19)14-11-20-10-8-17-14/h3-6,14,17H,1-2,7-11H2,(H,18,19)
InChIKeyYRBZJLWBRIEQPS-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.09
Rot. Bonds7

About N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide

N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide (PubChem CID 119695885) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide
PubChem CID119695885
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide
SMILESO=C(NCCCCOc1ccc(F)cc1)C1COCCN1
InChIInChI=1S/C15H21FN2O3/c16-12-3-5-13(6-4-12)21-9-2-1-7-18-15(19)14-11-20-10-8-17-14/h3-6,14,17H,1-2,7-11H2,(H,18,19)
InChIKeyYRBZJLWBRIEQPS-UHFFFAOYSA-N
XLogP1.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenoxy)propyl]morpholine-3-carboxamide
CID 119757179
N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119694151
N-[[4-(2-methoxyethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119723243
N-[(4-propoxyphenyl)methyl]morpholine-3-carboxamide
CID 119714341
N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide
CID 119877252
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-3-carboxamide;hydrochloride
CID 119721497
N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119814166
(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide
CID 96998631
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]morpholine-3-carboxamide
CID 119731196
2-(morpholine-3-carbonylamino)ethyl carbamate
CID 83209608
N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide
CID 119854546
(3R)-N-[4-(3-methylbutoxy)phenyl]morpholine-3-carboxamide
CID 124595367

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide (CID 119695885) is N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide is O=C(NCCCCOc1ccc(F)cc1)C1COCCN1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide?
The InChIKey is YRBZJLWBRIEQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c16-12-3-5-13(6-4-12)21-9-2-1-7-18-15(19)14-11-20-10-8-17-14/h3-6,14,17H,1-2,7-11H2,(H,18,19).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide?
N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide has a molecular weight of 296.34 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide is sourced from PubChem (CID 119695885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).