4-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-(phenylmethoxymethyl)morpholine-3-carbaldehyde

C23H29NO5 — CID 175286087

IUPAC4-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-(phenylmethoxymethyl)morpholine-3-carbaldehyde
SMILESCOc1ccc(CN2CC(C)OC(COCc3ccccc3)C2C=O)c(OC)c1
InChIInChI=1S/C23H29NO5/c1-17-12-24(13-19-9-10-20(26-2)11-22(19)27-3)21(14-25)23(29-17)16-28-15-18-7-5-4-6-8-18/h4-11,14,17,21,23H,12-13,15-16H2,1-3H3
InChIKeyLUMSAIURGVGGDW-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.08
Rot. Bonds9

About 4-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-(phenylmethoxymethyl)morpholine-3-carbaldehyde

4-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-(phenylmethoxymethyl)morpholine-3-carbaldehyde (PubChem CID 175286087) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-(phenylmethoxymethyl)morpholine-3-carbaldehyde.

Molecular Properties

Compound Name4-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-(phenylmethoxymethyl)morpholine-3-carbaldehyde
PubChem CID175286087
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name4-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-(phenylmethoxymethyl)morpholine-3-carbaldehyde
SMILESCOc1ccc(CN2CC(C)OC(COCc3ccccc3)C2C=O)c(OC)c1
InChIInChI=1S/C23H29NO5/c1-17-12-24(13-19-9-10-20(26-2)11-22(19)27-3)21(14-25)23(29-17)16-28-15-18-7-5-4-6-8-18/h4-11,14,17,21,23H,12-13,15-16H2,1-3H3
InChIKeyLUMSAIURGVGGDW-UHFFFAOYSA-N
XLogP3.08
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3aS,6aR)-2-[(2,4-dimethoxyphenyl)methyl]-5-(2-phenylethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 91916057
(4aS,7aR)-1,4-dibenzyl-6-[(2,4-dimethoxyphenyl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyrazine
CID 156519943
1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine
CID 82708945
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
(3S,4S)-4-(dibenzylamino)-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-2-one
CID 169259692
methyl (Z)-3-[1-[(2,4-dimethoxyphenyl)methyl]-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]prop-2-enoate
CID 70343710
(2S,5R)-2-benzyl-1-[(2,4-dimethoxyphenyl)methyl]-5-methyl-2,5-dihydropyridin-6-one
CID 11602763
benzyl N-[(2R,3S)-2-(aminomethyl)-1-[(2,4-dimethoxyphenyl)methyl]-4-oxoazetidin-3-yl]carbamate
CID 118411324
(2R,3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-oxoazetidine-2-carbaldehyde
CID 14110350
(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 29024699
[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]azetidin-3-yl]methanediol
CID 91478879
(1S,4S,7R)-2-benzyl-N-[(2,4-dimethoxyphenyl)methyl]-2-azabicyclo[2.2.1]heptan-7-amine
CID 126505639

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-(phenylmethoxymethyl)morpholine-3-carbaldehyde?
The IUPAC name of 4-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-(phenylmethoxymethyl)morpholine-3-carbaldehyde (CID 175286087) is 4-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-(phenylmethoxymethyl)morpholine-3-carbaldehyde.
What is the SMILES notation for 4-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-(phenylmethoxymethyl)morpholine-3-carbaldehyde?
The canonical SMILES for 4-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-(phenylmethoxymethyl)morpholine-3-carbaldehyde is COc1ccc(CN2CC(C)OC(COCc3ccccc3)C2C=O)c(OC)c1.
What is the InChIKey of 4-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-(phenylmethoxymethyl)morpholine-3-carbaldehyde?
The InChIKey is LUMSAIURGVGGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-17-12-24(13-19-9-10-20(26-2)11-22(19)27-3)21(14-25)23(29-17)16-28-15-18-7-5-4-6-8-18/h4-11,14,17,21,23H,12-13,15-16H2,1-3H3.
What are the key properties of 4-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-(phenylmethoxymethyl)morpholine-3-carbaldehyde?
4-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-(phenylmethoxymethyl)morpholine-3-carbaldehyde has a molecular weight of 399.49 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-(phenylmethoxymethyl)morpholine-3-carbaldehyde is sourced from PubChem (CID 175286087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).