N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide

C15H22FN3O2 — CID 119830971

IUPACN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide
SMILESCN(C)C(CNC(=O)C1CNCCO1)c1cccc(F)c1
InChIInChI=1S/C15H22FN3O2/c1-19(2)13(11-4-3-5-12(16)8-11)9-18-15(20)14-10-17-6-7-21-14/h3-5,8,13-14,17H,6-7,9-10H2,1-2H3,(H,18,20)
InChIKeyAECNLWJHNHAOIA-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.53
Rot. Bonds5

About N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide (PubChem CID 119830971) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide
PubChem CID119830971
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide
SMILESCN(C)C(CNC(=O)C1CNCCO1)c1cccc(F)c1
InChIInChI=1S/C15H22FN3O2/c1-19(2)13(11-4-3-5-12(16)8-11)9-18-15(20)14-10-17-6-7-21-14/h3-5,8,13-14,17H,6-7,9-10H2,1-2H3,(H,18,20)
InChIKeyAECNLWJHNHAOIA-UHFFFAOYSA-N
XLogP0.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119831068
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]morpholine-2-carboxamide;dihydrochloride
CID 119866007
(2R,3S)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120937953
(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39956758
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride
CID 119830916
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide
CID 43020482
N-[2-(4-fluorophenoxy)propyl]morpholine-2-carboxamide
CID 119804499
N-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide
CID 119768768
N-[2-[benzyl(methyl)amino]propyl]morpholine-2-carboxamide
CID 119885731
N-[2-(3-fluorophenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119795610
N-(2,3-diphenylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119803971
N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide
CID 119804946

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide (CID 119830971) is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide is CN(C)C(CNC(=O)C1CNCCO1)c1cccc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide?
The InChIKey is AECNLWJHNHAOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-19(2)13(11-4-3-5-12(16)8-11)9-18-15(20)14-10-17-6-7-21-14/h3-5,8,13-14,17H,6-7,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide?
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 119830971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).