3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide

C18H26N2O4 — CID 125420203

IUPAC3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCC2(N3CCOCC3)CCOCC2)c1
InChIInChI=1S/C18H26N2O4/c1-22-16-4-2-3-15(13-16)17(21)19-14-18(5-9-23-10-6-18)20-7-11-24-12-8-20/h2-4,13H,5-12,14H2,1H3,(H,19,21)
InChIKeyPLXLOVGTUMKNNC-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.31
Rot. Bonds5

About 3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide

3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide (PubChem CID 125420203) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
PubChem CID125420203
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)NCC2(N3CCOCC3)CCOCC2)c1
InChIInChI=1S/C18H26N2O4/c1-22-16-4-2-3-15(13-16)17(21)19-14-18(5-9-23-10-6-18)20-7-11-24-12-8-20/h2-4,13H,5-12,14H2,1H3,(H,19,21)
InChIKeyPLXLOVGTUMKNNC-UHFFFAOYSA-N
XLogP1.31
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-morpholin-4-yloxan-4-yl)methyl]-3-(prop-2-enoylamino)benzamide
CID 166407354
3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028737
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505015
3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505028
3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028774
4-butoxy-3,5-dimethoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide
CID 71617633
(E)-3-(3-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254917
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide
CID 17404060
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17391709
3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide
CID 71616252
3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505026

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide?
The IUPAC name of 3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide (CID 125420203) is 3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide is COc1cccc(C(=O)NCC2(N3CCOCC3)CCOCC2)c1.
What is the InChIKey of 3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide?
The InChIKey is PLXLOVGTUMKNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-22-16-4-2-3-15(13-16)17(21)19-14-18(5-9-23-10-6-18)20-7-11-24-12-8-20/h2-4,13H,5-12,14H2,1H3,(H,19,21).
What are the key properties of 3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide?
3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide has a molecular weight of 334.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(4-morpholin-4-yloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 125420203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).