(3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

C16H24N2O3 — CID 61094264

IUPAC(3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCOc1ccc(C(=O)N2CC(C)OCC2CC)cc1N
InChIInChI=1S/C16H24N2O3/c1-4-13-10-21-11(3)9-18(13)16(19)12-6-7-15(20-5-2)14(17)8-12/h6-8,11,13H,4-5,9-10,17H2,1-3H3
InChIKeyCVUINRNOMXEGBL-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.31
Rot. Bonds4

About (3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

(3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone (PubChem CID 61094264) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
PubChem CID61094264
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCOc1ccc(C(=O)N2CC(C)OCC2CC)cc1N
InChIInChI=1S/C16H24N2O3/c1-4-13-10-21-11(3)9-18(13)16(19)12-6-7-15(20-5-2)14(17)8-12/h6-8,11,13H,4-5,9-10,17H2,1-3H3
InChIKeyCVUINRNOMXEGBL-UHFFFAOYSA-N
XLogP2.31
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 61093877
2,3-dihydro-1H-isoindol-5-yl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103998009
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
(3-amino-4-ethoxyphenyl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 28689911
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzoic acid
CID 61424863
(2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103755584
(5-ethyl-2-methylmorpholin-4-yl)-(1H-indol-6-yl)methanone
CID 61060054
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411281
4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide
CID 83094011
(5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone
CID 42904647
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61094073
(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689913

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The IUPAC name of (3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone (CID 61094264) is (3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone is CCOc1ccc(C(=O)N2CC(C)OCC2CC)cc1N.
What is the InChIKey of (3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The InChIKey is CVUINRNOMXEGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-13-10-21-11(3)9-18(13)16(19)12-6-7-15(20-5-2)14(17)8-12/h6-8,11,13H,4-5,9-10,17H2,1-3H3.
What are the key properties of (3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
(3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone has a molecular weight of 292.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-ethoxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 61094264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).