4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one

C16H24N2O2 — CID 63324245

IUPAC4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one
SMILESCCC1CN(C(=O)CCC(N)c2ccccc2)CCO1
InChIInChI=1S/C16H24N2O2/c1-2-14-12-18(10-11-20-14)16(19)9-8-15(17)13-6-4-3-5-7-13/h3-7,14-15H,2,8-12,17H2,1H3
InChIKeyBKPVIBIDOFEWKJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.10
Rot. Bonds5

About 4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one

4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one (PubChem CID 63324245) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one
PubChem CID63324245
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one
SMILESCCC1CN(C(=O)CCC(N)c2ccccc2)CCO1
InChIInChI=1S/C16H24N2O2/c1-2-14-12-18(10-11-20-14)16(19)9-8-15(17)13-6-4-3-5-7-13/h3-7,14-15H,2,8-12,17H2,1H3
InChIKeyBKPVIBIDOFEWKJ-UHFFFAOYSA-N
XLogP2.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107217247
4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoic acid
CID 119182801
4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one
CID 55204912
4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one
CID 63323897
1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one
CID 25367584
2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone
CID 43562198
(2R)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203556
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203547
4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63978619
2-ethylmorpholine-4-carboxylic acid
CID 121455686
4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 107217065

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one?
The IUPAC name of 4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one (CID 63324245) is 4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one.
What is the SMILES notation for 4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one?
The canonical SMILES for 4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one is CCC1CN(C(=O)CCC(N)c2ccccc2)CCO1.
What is the InChIKey of 4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one?
The InChIKey is BKPVIBIDOFEWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-14-12-18(10-11-20-14)16(19)9-8-15(17)13-6-4-3-5-7-13/h3-7,14-15H,2,8-12,17H2,1H3.
What are the key properties of 4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one?
4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 63324245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).