4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one

C13H26N2O3 — CID 120592120

IUPAC4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one
SMILESCOC(CN)CC(=O)N1CCOCC1CC(C)C
InChIInChI=1S/C13H26N2O3/c1-10(2)6-11-9-18-5-4-15(11)13(16)7-12(8-14)17-3/h10-12H,4-9,14H2,1-3H3
InChIKeyWFOVVELRFIDVHF-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.62
Rot. Bonds6

About 4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one

4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one (PubChem CID 120592120) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one
PubChem CID120592120
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one
SMILESCOC(CN)CC(=O)N1CCOCC1CC(C)C
InChIInChI=1S/C13H26N2O3/c1-10(2)6-11-9-18-5-4-15(11)13(16)7-12(8-14)17-3/h10-12H,4-9,14H2,1-3H3
InChIKeyWFOVVELRFIDVHF-UHFFFAOYSA-N
XLogP0.62
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one
CID 95380638
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride
CID 119782067
4-amino-1-(3,5-dimethylmorpholin-4-yl)-3-methoxybutan-1-one
CID 120593084
4-[(3S)-3-(2-methylpropyl)morpholine-4-carbonyl]benzoic acid
CID 124681978
4-amino-3-methoxy-1-[3-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 120592110
4-[(3S)-3-(aminomethyl)-5-methylhexanoyl]morpholine-3-carboxamide
CID 83102641
1-(3-benzylmorpholin-4-yl)-3-methylbutan-1-one
CID 110749916
(4S)-4-methyl-2-methylidene-1-[(3S)-3-[(2S)-2-methyl-4-[(3S)-3-(2-methylpropyl)morpholine-4-carbonyl]pent-4-enyl]morpholin-4-yl]-5-[(3R)-4-prop-2-enoylmorpholin-3-yl]pentan-1-one
CID 170207390
[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone
CID 95380643
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
4-amino-1-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methoxybutan-1-one
CID 103155667
4-[3-(aminomethyl)-5-methylhexanoyl]-N-ethylmorpholine-3-carboxamide
CID 83097997

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one?
The IUPAC name of 4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one (CID 120592120) is 4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for 4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one?
The canonical SMILES for 4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one is COC(CN)CC(=O)N1CCOCC1CC(C)C.
What is the InChIKey of 4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one?
The InChIKey is WFOVVELRFIDVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(2)6-11-9-18-5-4-15(11)13(16)7-12(8-14)17-3/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one?
4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one has a molecular weight of 258.36 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-1-[3-(2-methylpropyl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 120592120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).