2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

C21H26N2O4 — CID 55814732

IUPAC2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2cccc(CN3CCOCC3)c2)c1OC
InChIInChI=1S/C21H26N2O4/c1-25-19-8-4-7-18(20(19)26-2)21(24)22-14-16-5-3-6-17(13-16)15-23-9-11-27-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,24)
InChIKeyOKXWFUIWIDPRNO-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.47
Rot. Bonds7

About 2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide

2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (PubChem CID 55814732) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
PubChem CID55814732
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1cccc(C(=O)NCc2cccc(CN3CCOCC3)c2)c1OC
InChIInChI=1S/C21H26N2O4/c1-25-19-8-4-7-18(20(19)26-2)21(24)22-14-16-5-3-6-17(13-16)15-23-9-11-27-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,24)
InChIKeyOKXWFUIWIDPRNO-UHFFFAOYSA-N
XLogP2.47
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17437691
2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 55971022
methyl 2-methoxy-5-[[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 55921387
3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 27890450
2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954518
2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55971149
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-propan-2-yloxybenzamide
CID 94134147
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473146
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373
3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 60571005

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide (CID 55814732) is 2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is COc1cccc(C(=O)NCc2cccc(CN3CCOCC3)c2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is OKXWFUIWIDPRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-25-19-8-4-7-18(20(19)26-2)21(24)22-14-16-5-3-6-17(13-16)15-23-9-11-27-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,24).
What are the key properties of 2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide?
2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55814732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).