N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride

C16H27Cl2N3O2 — CID 119862520

IUPACN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
SMILESCCN(C)Cc1cccc(CNC(=O)C2COCCN2)c1.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-3-19(2)11-14-6-4-5-13(9-14)10-18-16(20)15-12-21-8-7-17-15;;/h4-6,9,15,17H,3,7-8,10-12H2,1-2H3,(H,18,20);2*1H
InChIKeyHRDACJUCWUJUCU-UHFFFAOYSA-N
MW364.32 g/mol
LogP1.59
Rot. Bonds6

About N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 119862520) has the molecular formula C16H27Cl2N3O2 and a molecular weight of 364.32 g/mol. Its IUPAC name is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
PubChem CID119862520
Molecular FormulaC16H27Cl2N3O2
Molecular Weight364.32 g/mol
Exact Mass363.15
IUPAC NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
SMILESCCN(C)Cc1cccc(CNC(=O)C2COCCN2)c1.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-3-19(2)11-14-6-4-5-13(9-14)10-18-16(20)15-12-21-8-7-17-15;;/h4-6,9,15,17H,3,7-8,10-12H2,1-2H3,(H,18,20);2*1H
InChIKeyHRDACJUCWUJUCU-UHFFFAOYSA-N
XLogP1.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120939999
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide
CID 119845730
N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119762990
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide
CID 119744682
(3R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 124695970
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119719720
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119756162
N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119847432
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 119717013
N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119808070
N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119747493

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride (CID 119862520) is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride is CCN(C)Cc1cccc(CNC(=O)C2COCCN2)c1.Cl.Cl.
What is the InChIKey of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is HRDACJUCWUJUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.2ClH/c1-3-19(2)11-14-6-4-5-13(9-14)10-18-16(20)15-12-21-8-7-17-15;;/h4-6,9,15,17H,3,7-8,10-12H2,1-2H3,(H,18,20);2*1H.
What are the key properties of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride?
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 364.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119862520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).