N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride

C14H21ClN2O4 — CID 119708865

IUPACN-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESCOc1cccc(CNC(=O)C2COCCN2)c1OC.Cl
InChIInChI=1S/C14H20N2O4.ClH/c1-18-12-5-3-4-10(13(12)19-2)8-16-14(17)11-9-20-7-6-15-11;/h3-5,11,15H,6-9H2,1-2H3,(H,16,17);1H
InChIKeyKPFAPXQGUZEWMY-UHFFFAOYSA-N
MW316.79 g/mol
LogP0.73
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride

N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119708865) has the molecular formula C14H21ClN2O4 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119708865
Molecular FormulaC14H21ClN2O4
Molecular Weight316.79 g/mol
Exact Mass316.12
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESCOc1cccc(CNC(=O)C2COCCN2)c1OC.Cl
InChIInChI=1S/C14H20N2O4.ClH/c1-18-12-5-3-4-10(13(12)19-2)8-16-14(17)11-9-20-7-6-15-11;/h3-5,11,15H,6-9H2,1-2H3,(H,16,17);1H
InChIKeyKPFAPXQGUZEWMY-UHFFFAOYSA-N
XLogP0.73
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119816481
N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281335
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide
CID 119816482
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-3-carboxamide
CID 119707515
N-[(2-methoxynaphthalen-1-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119709351
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 119771820
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]morpholine-3-carboxamide
CID 119763446
2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
CID 81317493
N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119777833
N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119747493
N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119808070
(3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide
CID 124682602

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride (CID 119708865) is N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride is COc1cccc(CNC(=O)C2COCCN2)c1OC.Cl.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is KPFAPXQGUZEWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4.ClH/c1-18-12-5-3-4-10(13(12)19-2)8-16-14(17)11-9-20-7-6-15-11;/h3-5,11,15H,6-9H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride?
N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 316.79 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119708865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).