2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone

C18H28N2O3 — CID 56784565

IUPAC2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone
SMILESCCN(CC(=O)N1CCOCC1)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C18H28N2O3/c1-4-19(14-18(21)20-9-11-23-12-10-20)15(2)13-16-5-7-17(22-3)8-6-16/h5-8,15H,4,9-14H2,1-3H3
InChIKeyKTNKXSCFMLDEFD-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.81
Rot. Bonds7

About 2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone

2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone (PubChem CID 56784565) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone
PubChem CID56784565
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone
SMILESCCN(CC(=O)N1CCOCC1)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C18H28N2O3/c1-4-19(14-18(21)20-9-11-23-12-10-20)15(2)13-16-5-7-17(22-3)8-6-16/h5-8,15H,4,9-14H2,1-3H3
InChIKeyKTNKXSCFMLDEFD-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 54322087
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 19872420
1-(4-benzoylpiperazin-1-yl)-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one
CID 19872439
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8693130
(2S)-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methyl-6-oxaspiro[2.5]octane-2-carboxamide
CID 97220924
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide
CID 112503691
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887
N-[2-(4-methoxyphenoxy)ethyl]-N-methylmorpholine-4-carboxamide
CID 136542154
ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
CID 19872410
propan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
CID 54252796
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110365832

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone (CID 56784565) is 2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone is CCN(CC(=O)N1CCOCC1)C(C)Cc1ccc(OC)cc1.
What is the InChIKey of 2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone?
The InChIKey is KTNKXSCFMLDEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-19(14-18(21)20-9-11-23-12-10-20)15(2)13-16-5-7-17(22-3)8-6-16/h5-8,15H,4,9-14H2,1-3H3.
What are the key properties of 2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone?
2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone has a molecular weight of 320.43 g/mol, XLogP of 1.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 56784565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).