[(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone

C16H24N2O2 — CID 96536811

IUPAC[(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone
SMILESCC[C@@H]1COCCN1C(=O)c1cccc(NC(C)C)c1
InChIInChI=1S/C16H24N2O2/c1-4-15-11-20-9-8-18(15)16(19)13-6-5-7-14(10-13)17-12(2)3/h5-7,10,12,15,17H,4,8-9,11H2,1-3H3/t15-/m1/s1
InChIKeyMJUBAYREKHPLAG-OAHLLOKOSA-N
MW276.38 g/mol
LogP2.76
Rot. Bonds4

About [(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone

[(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone (PubChem CID 96536811) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone
PubChem CID96536811
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone
SMILESCC[C@@H]1COCCN1C(=O)c1cccc(NC(C)C)c1
InChIInChI=1S/C16H24N2O2/c1-4-15-11-20-9-8-18(15)16(19)13-6-5-7-14(10-13)17-12(2)3/h5-7,10,12,15,17H,4,8-9,11H2,1-3H3/t15-/m1/s1
InChIKeyMJUBAYREKHPLAG-OAHLLOKOSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43613610
(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104614640
[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70772603
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605
(3-chloro-4-hydroxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613528
2-ethyl-N-[3-(3-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110352840
(3-methylmorpholin-4-yl)-[3-(propan-2-ylsulfamoylamino)phenyl]methanone
CID 110614469
3-[3-[(3S)-3-ethylmorpholine-4-carbonyl]phenyl]chromen-2-one
CID 171908503
N-[3-(3-methylmorpholine-4-carbonyl)phenyl]-2-(3-methylphenyl)acetamide
CID 110671847
(3-ethylmorpholin-4-yl)-(5-iodothiophen-3-yl)methanone
CID 78966403
[4-(ethylamino)-3,5-difluorophenyl]-(3-ethylmorpholin-4-yl)methanone
CID 63185055
6-(3-ethylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 107262017

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone?
The IUPAC name of [(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone (CID 96536811) is [(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone.
What is the SMILES notation for [(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone?
The canonical SMILES for [(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone is CC[C@@H]1COCCN1C(=O)c1cccc(NC(C)C)c1.
What is the InChIKey of [(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone?
The InChIKey is MJUBAYREKHPLAG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-15-11-20-9-8-18(15)16(19)13-6-5-7-14(10-13)17-12(2)3/h5-7,10,12,15,17H,4,8-9,11H2,1-3H3/t15-/m1/s1.
What are the key properties of [(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone?
[(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone is sourced from PubChem (CID 96536811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).