N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride

C16H27Cl2N3O3 — CID 119831068

IUPACN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
SMILESCOc1cccc(C(CNC(=O)C2CNCCO2)N(C)C)c1.Cl.Cl
InChIInChI=1S/C16H25N3O3.2ClH/c1-19(2)14(12-5-4-6-13(9-12)21-3)10-18-16(20)15-11-17-7-8-22-15;;/h4-6,9,14-15,17H,7-8,10-11H2,1-3H3,(H,18,20);2*1H
InChIKeyZTHFUKGGZBCQAZ-UHFFFAOYSA-N
MW380.32 g/mol
LogP1.25
Rot. Bonds6

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119831068) has the molecular formula C16H27Cl2N3O3 and a molecular weight of 380.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119831068
Molecular FormulaC16H27Cl2N3O3
Molecular Weight380.32 g/mol
Exact Mass379.14
IUPAC NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
SMILESCOc1cccc(C(CNC(=O)C2CNCCO2)N(C)C)c1.Cl.Cl
InChIInChI=1S/C16H25N3O3.2ClH/c1-19(2)14(12-5-4-6-13(9-12)21-3)10-18-16(20)15-11-17-7-8-22-15;;/h4-6,9,14-15,17H,7-8,10-11H2,1-3H3,(H,18,20);2*1H
InChIKeyZTHFUKGGZBCQAZ-UHFFFAOYSA-N
XLogP1.25
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide
CID 119830971
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]morpholine-2-carboxamide
CID 119832218
(2R)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119830989
(2S,5R)-5-(aminomethyl)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 120796996
(2S,4S)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120631312
N-[2-(3-chlorophenoxy)propyl]morpholine-2-carboxamide;hydrochloride
CID 119807139
N-[2-(3-methylphenoxy)propyl]morpholine-2-carboxamide
CID 119804946
N-[2-(3-methylphenoxy)butyl]morpholine-2-carboxamide
CID 119819907
(2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide
CID 95868234
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119831064
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119831071

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride (CID 119831068) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride is COc1cccc(C(CNC(=O)C2CNCCO2)N(C)C)c1.Cl.Cl.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is ZTHFUKGGZBCQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3.2ClH/c1-19(2)14(12-5-4-6-13(9-12)21-3)10-18-16(20)15-11-17-7-8-22-15;;/h4-6,9,14-15,17H,7-8,10-11H2,1-3H3,(H,18,20);2*1H.
What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride?
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 380.32 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119831068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).