2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide

C20H30N2O3 — CID 90607368

IUPAC2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
SMILESCc1cccc(CC(=O)N(CCN2CCOCC2)C2CCOCC2)c1
InChIInChI=1S/C20H30N2O3/c1-17-3-2-4-18(15-17)16-20(23)22(19-5-11-24-12-6-19)8-7-21-9-13-25-14-10-21/h2-4,15,19H,5-14,16H2,1H3
InChIKeyQUOUFQYSACLDHZ-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.88
Rot. Bonds6

About 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide

2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide (PubChem CID 90607368) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
PubChem CID90607368
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
SMILESCc1cccc(CC(=O)N(CCN2CCOCC2)C2CCOCC2)c1
InChIInChI=1S/C20H30N2O3/c1-17-3-2-4-18(15-17)16-20(23)22(19-5-11-24-12-6-19)8-7-21-9-13-25-14-10-21/h2-4,15,19H,5-14,16H2,1H3
InChIKeyQUOUFQYSACLDHZ-UHFFFAOYSA-N
XLogP1.88
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71796110
N-(2-aminoethyl)-N-cyclopentyl-2-(3-methylphenyl)acetamide
CID 63754808
2-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
CID 90607262
N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 80659704
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)furan-2-carboxamide
CID 90607378
1-[2-(3-methylphenyl)acetyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 113003541
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997744
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997752
N-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide
CID 113095232
2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232
N-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 110670105
N-methyl-2-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 63265575

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide (CID 90607368) is 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide is Cc1cccc(CC(=O)N(CCN2CCOCC2)C2CCOCC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide?
The InChIKey is QUOUFQYSACLDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-17-3-2-4-18(15-17)16-20(23)22(19-5-11-24-12-6-19)8-7-21-9-13-25-14-10-21/h2-4,15,19H,5-14,16H2,1H3.
What are the key properties of 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide?
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide has a molecular weight of 346.47 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 90607368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).