1-[2-(2-methoxyethyl)morpholin-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone

C18H28N2O3 — CID 91840309

IUPAC1-[2-(2-methoxyethyl)morpholin-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
SMILESCOCCC1CN(C(=O)CN(C)Cc2ccc(C)cc2)CCO1
InChIInChI=1S/C18H28N2O3/c1-15-4-6-16(7-5-15)12-19(2)14-18(21)20-9-11-23-17(13-20)8-10-22-3/h4-7,17H,8-14H2,1-3H3
InChIKeyMSSINPFNQVDPJL-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.69
Rot. Bonds7

About 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone

1-[2-(2-methoxyethyl)morpholin-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone (PubChem CID 91840309) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)morpholin-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
PubChem CID91840309
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[2-(2-methoxyethyl)morpholin-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
SMILESCOCCC1CN(C(=O)CN(C)Cc2ccc(C)cc2)CCO1
InChIInChI=1S/C18H28N2O3/c1-15-4-6-16(7-5-15)12-19(2)14-18(21)20-9-11-23-17(13-20)8-10-22-3/h4-7,17H,8-14H2,1-3H3
InChIKeyMSSINPFNQVDPJL-UHFFFAOYSA-N
XLogP1.69
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenyl)-1-[2-(2-methoxyethyl)morpholin-4-yl]ethanone
CID 91769226
2-(2-methoxyethyl)-N-[4-(4-methylphenyl)phenyl]morpholine-4-carboxamide
CID 118784925
1-[2-(2-methoxyethyl)morpholin-4-yl]-2-(2,3,6-trimethylphenoxy)ethanone
CID 46986778
2-[methyl-[(4-methylphenyl)methyl]amino]-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 91793315
methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124
1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 81210723
2-[2-[(2R)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 97113197
2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 97113198
1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one
CID 87054491
N-(2-methoxyethyl)-4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 46059667
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
3-[3-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-3-oxopropyl]-2-methyl-1H-quinolin-4-one
CID 124755147

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone?
The IUPAC name of 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone (CID 91840309) is 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone.
What is the SMILES notation for 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone?
The canonical SMILES for 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone is COCCC1CN(C(=O)CN(C)Cc2ccc(C)cc2)CCO1.
What is the InChIKey of 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone?
The InChIKey is MSSINPFNQVDPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-15-4-6-16(7-5-15)12-19(2)14-18(21)20-9-11-23-17(13-20)8-10-22-3/h4-7,17H,8-14H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone?
1-[2-(2-methoxyethyl)morpholin-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone has a molecular weight of 320.43 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)morpholin-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone is sourced from PubChem (CID 91840309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).