1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone

C23H29NO7 — CID 46100107

IUPAC1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
SMILESCOc1ccccc1OCC1CN(C(=O)Cc2ccc(OC)c(OC)c2OC)CCO1
InChIInChI=1S/C23H29NO7/c1-26-18-7-5-6-8-19(18)31-15-17-14-24(11-12-30-17)21(25)13-16-9-10-20(27-2)23(29-4)22(16)28-3/h5-10,17H,11-15H2,1-4H3
InChIKeyXTTZQBJHISRAKN-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.57
Rot. Bonds9

About 1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone

1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone (PubChem CID 46100107) has the molecular formula C23H29NO7 and a molecular weight of 431.49 g/mol. Its IUPAC name is 1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
PubChem CID46100107
Molecular FormulaC23H29NO7
Molecular Weight431.49 g/mol
Exact Mass431.19
IUPAC Name1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
SMILESCOc1ccccc1OCC1CN(C(=O)Cc2ccc(OC)c(OC)c2OC)CCO1
InChIInChI=1S/C23H29NO7/c1-26-18-7-5-6-8-19(18)31-15-17-14-24(11-12-30-17)21(25)13-16-9-10-20(27-2)23(29-4)22(16)28-3/h5-10,17H,11-15H2,1-4H3
InChIKeyXTTZQBJHISRAKN-UHFFFAOYSA-N
XLogP2.57
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-(3-bromo-4-methoxyphenyl)ethanone
CID 3697779
1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 46100350
2-[(2R)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979589
(2-chloro-3-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 92758229
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088
(6-bromo-2-pyridinyl)-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 92759778
methyl 2-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetate
CID 102567692
1-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-(5-chloro-1-benzothiophen-3-yl)ethanone
CID 3778258
benzyl N-[4-[(2S)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-4-oxobutyl]carbamate
CID 92758542
[(2R)-2-[(2-methoxy-4-methylphenoxy)methyl]morpholin-4-yl]-(2-methylphenyl)methanone
CID 93336839
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 8867499
1-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-methylpent-2-en-1-one
CID 4685886

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone?
The IUPAC name of 1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone (CID 46100107) is 1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone?
The canonical SMILES for 1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone is COc1ccccc1OCC1CN(C(=O)Cc2ccc(OC)c(OC)c2OC)CCO1.
What is the InChIKey of 1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone?
The InChIKey is XTTZQBJHISRAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO7/c1-26-18-7-5-6-8-19(18)31-15-17-14-24(11-12-30-17)21(25)13-16-9-10-20(27-2)23(29-4)22(16)28-3/h5-10,17H,11-15H2,1-4H3.
What are the key properties of 1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone?
1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone has a molecular weight of 431.49 g/mol, XLogP of 2.57, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone is sourced from PubChem (CID 46100107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).