N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride

C16H25ClN2O4 — CID 119690480

IUPACN-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride
SMILESCOc1cc(C)c(CN(C)C(=O)C2COCCN2)cc1OC.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-11-7-14(20-3)15(21-4)8-12(11)9-18(2)16(19)13-10-22-6-5-17-13;/h7-8,13,17H,5-6,9-10H2,1-4H3;1H
InChIKeyUKTHCCGPYGIYEG-UHFFFAOYSA-N
MW344.84 g/mol
LogP1.38
Rot. Bonds5

About N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride

N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 119690480) has the molecular formula C16H25ClN2O4 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID119690480
Molecular FormulaC16H25ClN2O4
Molecular Weight344.84 g/mol
Exact Mass344.15
IUPAC NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride
SMILESCOc1cc(C)c(CN(C)C(=O)C2COCCN2)cc1OC.Cl
InChIInChI=1S/C16H24N2O4.ClH/c1-11-7-14(20-3)15(21-4)8-12(11)9-18(2)16(19)13-10-22-6-5-17-13;/h7-8,13,17H,5-6,9-10H2,1-4H3;1H
InChIKeyUKTHCCGPYGIYEG-UHFFFAOYSA-N
XLogP1.38
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119681680
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 124513193
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119682446
N-(4,5-dimethoxy-2-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119679081
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119271772
4-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120690580
(3R)-N-methyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 124513206
N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119747493
N-methyl-N-(2,4,6-trimethylphenyl)morpholine-3-carboxamide
CID 115177590
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 119771820
(2S)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9085002
(2R,3S)-N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120934675

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride (CID 119690480) is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride is COc1cc(C)c(CN(C)C(=O)C2COCCN2)cc1OC.Cl.
What is the InChIKey of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is UKTHCCGPYGIYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4.ClH/c1-11-7-14(20-3)15(21-4)8-12(11)9-18(2)16(19)13-10-22-6-5-17-13;/h7-8,13,17H,5-6,9-10H2,1-4H3;1H.
What are the key properties of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride?
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119690480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).