2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one

C17H26N2O3 — CID 47016534

IUPAC2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCOc1ccc(C(C)NC(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-4-22-16-7-5-15(6-8-16)13(2)18-14(3)17(20)19-9-11-21-12-10-19/h5-8,13-14,18H,4,9-12H2,1-3H3
InChIKeyWSRULADHSXWORL-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.98
Rot. Bonds6

About 2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one

2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 47016534) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID47016534
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCCOc1ccc(C(C)NC(C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-4-22-16-7-5-15(6-8-16)13(2)18-14(3)17(20)19-9-11-21-12-10-19/h5-8,13-14,18H,4,9-12H2,1-3H3
InChIKeyWSRULADHSXWORL-UHFFFAOYSA-N
XLogP1.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81347605
2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115593323
4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide
CID 110347837
2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81354077
2-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 43402762
N-[4-[1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 47025310
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid
CID 27378601
2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81383364
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81377372
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7704937

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one (CID 47016534) is 2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one is CCOc1ccc(C(C)NC(C)C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is WSRULADHSXWORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-22-16-7-5-15(6-8-16)13(2)18-14(3)17(20)19-9-11-21-12-10-19/h5-8,13-14,18H,4,9-12H2,1-3H3.
What are the key properties of 2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one?
2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 306.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 47016534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).