N-tert-butyl-2-[(4-fluorophenyl)methyl]morpholine-4-carboxamide

C16H23FN2O2 — CID 50974499

IUPACN-tert-butyl-2-[(4-fluorophenyl)methyl]morpholine-4-carboxamide
SMILESCC(C)(C)NC(=O)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)18-15(20)19-8-9-21-14(11-19)10-12-4-6-13(17)7-5-12/h4-7,14H,8-11H2,1-3H3,(H,18,20)
InChIKeyJCVSEPHZEOCMLG-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.58
Rot. Bonds2

About N-tert-butyl-2-[(4-fluorophenyl)methyl]morpholine-4-carboxamide

N-tert-butyl-2-[(4-fluorophenyl)methyl]morpholine-4-carboxamide (PubChem CID 50974499) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-fluorophenyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-fluorophenyl)methyl]morpholine-4-carboxamide
PubChem CID50974499
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-tert-butyl-2-[(4-fluorophenyl)methyl]morpholine-4-carboxamide
SMILESCC(C)(C)NC(=O)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)18-15(20)19-8-9-21-14(11-19)10-12-4-6-13(17)7-5-12/h4-7,14H,8-11H2,1-3H3,(H,18,20)
InChIKeyJCVSEPHZEOCMLG-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylpropyl)morpholine-4-carboxamide
CID 1973120
N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide
CID 831447
N-(4-phenylbutan-2-yl)morpholine-4-carboxamide
CID 2915222
ethyl N-{[2-(2-phenylethyl)-4-morpholinyl]carbonyl}glycinate
CID 45208752
1-[2-(3-Fluorophenyl)-2-hydroxyethyl]-3-(2-morpholin-4-ylethyl)urea
CID 53570383
1-[2-(4-Fluoro-2-methylphenyl)ethyl]-3-(2-morpholin-4-ylpropyl)urea
CID 71856970
N-3-phenylpropyl-(R)-2-(p-fluorophenyl)-4-morpholinecarboxamide
CID 93931044
N~9~-(Tert-butyl)-4-(3-fluorobenzyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 124053251
4-[(3-Fluorophenyl)methyl]-N-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 124053252
4-[2-(3-Fluorobenzyl)-4-morpholinyl]-4-oxobutanamide
CID 45185870
N-allyl-2-[3-(trifluoromethyl)benzyl]-4-morpholinecarboxamide
CID 45251234
N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(methoxymethyl)piperidine-1-carboxamide
CID 71867522

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-fluorophenyl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-[(4-fluorophenyl)methyl]morpholine-4-carboxamide (CID 50974499) is N-tert-butyl-2-[(4-fluorophenyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[(4-fluorophenyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-[(4-fluorophenyl)methyl]morpholine-4-carboxamide is CC(C)(C)NC(=O)N1CCOC(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-tert-butyl-2-[(4-fluorophenyl)methyl]morpholine-4-carboxamide?
The InChIKey is JCVSEPHZEOCMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(2,3)18-15(20)19-8-9-21-14(11-19)10-12-4-6-13(17)7-5-12/h4-7,14H,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-tert-butyl-2-[(4-fluorophenyl)methyl]morpholine-4-carboxamide?
N-tert-butyl-2-[(4-fluorophenyl)methyl]morpholine-4-carboxamide has a molecular weight of 294.37 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-fluorophenyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 50974499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).