2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone

C18H29N3O2 — CID 71047340

IUPAC2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone
SMILESCCN(CCN(C)CC(=O)N1CCOCC1)c1ccccc1C
InChIInChI=1S/C18H29N3O2/c1-4-20(17-8-6-5-7-16(17)2)10-9-19(3)15-18(22)21-11-13-23-14-12-21/h5-8H,4,9-15H2,1-3H3
InChIKeyTWKDLFUDZWWJIX-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.61
Rot. Bonds7

About 2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone

2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone (PubChem CID 71047340) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone
PubChem CID71047340
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone
SMILESCCN(CCN(C)CC(=O)N1CCOCC1)c1ccccc1C
InChIInChI=1S/C18H29N3O2/c1-4-20(17-8-6-5-7-16(17)2)10-9-19(3)15-18(22)21-11-13-23-14-12-21/h5-8H,4,9-15H2,1-3H3
InChIKeyTWKDLFUDZWWJIX-UHFFFAOYSA-N
XLogP1.61
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(N-ethyl-2-methylanilino)acetyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78821861
N-methyl-N-(2-methylphenyl)morpholine-4-carboxamide
CID 116655392
2-[methyl(2-methylsulfanylethyl)amino]-1-morpholin-4-ylethanone
CID 78815658
2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 78880040
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
N-benzyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 78808264
2-[benzyl(propyl)amino]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 46671885
4-(aminomethyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]oxane-4-carboxamide;dihydrochloride
CID 120939373
1-butanoyl-N-[2-(N-ethyl-2-methylanilino)ethyl]piperidine-4-carboxamide
CID 55873731
2-[methyl-[(2-methyl-3-nitrophenyl)methyl]amino]-1-morpholin-4-ylethanone
CID 60501292
2-(N-ethyl-2-methylanilino)-1-(oxolan-3-yl)ethanone
CID 104749876
1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111929461

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone (CID 71047340) is 2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone is CCN(CCN(C)CC(=O)N1CCOCC1)c1ccccc1C.
What is the InChIKey of 2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone?
The InChIKey is TWKDLFUDZWWJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-20(17-8-6-5-7-16(17)2)10-9-19(3)15-18(22)21-11-13-23-14-12-21/h5-8H,4,9-15H2,1-3H3.
What are the key properties of 2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone?
2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone has a molecular weight of 319.45 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 71047340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).