3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide

C15H26N2O3 — CID 139942487

IUPAC3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide
SMILESNC(=O)C(=O)C(CC1CCCCC1)CN1CCOCC1
InChIInChI=1S/C15H26N2O3/c16-15(19)14(18)13(10-12-4-2-1-3-5-12)11-17-6-8-20-9-7-17/h12-13H,1-11H2,(H2,16,19)
InChIKeyKUGOIWZXLBFHCC-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.96
Rot. Bonds6

About 3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide

3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide (PubChem CID 139942487) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide
PubChem CID139942487
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide
SMILESNC(=O)C(=O)C(CC1CCCCC1)CN1CCOCC1
InChIInChI=1S/C15H26N2O3/c16-15(19)14(18)13(10-12-4-2-1-3-5-12)11-17-6-8-20-9-7-17/h12-13H,1-11H2,(H2,16,19)
InChIKeyKUGOIWZXLBFHCC-UHFFFAOYSA-N
XLogP0.96
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 59972960
(2S)-3-cyclohexyl-2-hydroxy-1-morpholin-4-ylpropan-1-one
CID 59949122
(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) carbamate
CID 70335727
(3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 86741929
(3R)-3-hydroxy-4-morpholin-4-ylbutanamide
CID 69066222
4-(cyclohexylmethyl)morpholine
CID 641545
(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal
CID 142042653
1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol
CID 104752821
1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanamine
CID 104746036
trans-(1S,2S)-2-(2-amino-3-morpholin-4-ylpropyl)cyclohexan-1-amine;hydrochloride
CID 129307500
cis-(1R,2S)-2-[[(2R)-1-morpholin-4-ylpropan-2-yl]amino]cyclohexane-1-carboxamide
CID 129429926
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide?
The IUPAC name of 3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide (CID 139942487) is 3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide.
What is the SMILES notation for 3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide?
The canonical SMILES for 3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide is NC(=O)C(=O)C(CC1CCCCC1)CN1CCOCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide?
The InChIKey is KUGOIWZXLBFHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c16-15(19)14(18)13(10-12-4-2-1-3-5-12)11-17-6-8-20-9-7-17/h12-13H,1-11H2,(H2,16,19).
What are the key properties of 3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide?
3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide has a molecular weight of 282.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide is sourced from PubChem (CID 139942487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).