(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal

C15H25NO3 — CID 142042653

IUPAC(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal
SMILESO=C[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
InChIInChI=1S/C15H25NO3/c17-12-14(10-13-4-2-1-3-5-13)11-15(18)16-6-8-19-9-7-16/h12-14H,1-11H2/t14-/m1/s1
InChIKeyISCHBDZXCBYSKH-CQSZACIVSA-N
MW267.37 g/mol
LogP2.02
Rot. Bonds5

About (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal

(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal (PubChem CID 142042653) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal.

Molecular Properties

Compound Name(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal
PubChem CID142042653
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal
SMILESO=C[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
InChIInChI=1S/C15H25NO3/c17-12-14(10-13-4-2-1-3-5-13)11-15(18)16-6-8-19-9-7-16/h12-14H,1-11H2/t14-/m1/s1
InChIKeyISCHBDZXCBYSKH-CQSZACIVSA-N
XLogP2.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665
(2S)-3-cyclohexyl-2-hydroxy-1-morpholin-4-ylpropan-1-one
CID 59949122
2-(2-cyclohexylethylamino)-1-morpholin-4-ylethanone
CID 54932421
(3S)-3-cyclohexyl-1-morpholin-4-ylpent-4-yn-1-one
CID 158274360
2-(cyclohexylmethyl)-4-morpholin-4-yl-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)butane-1,4-dione
CID 69049826
(2R)-2-(cyclohexylmethyl)-N-[(3R)-2-methyl-4-oxooxolan-3-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 91420232
(2R)-2-(cyclohexylmethyl)-N-[(3S)-2-methyl-4-oxooxolan-3-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 91189213
(2R)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-2-(cyclohexylmethyl)-4-morpholin-4-ylbutane-1,4-dione
CID 59791703
(3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 86741929
N-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 59972960
1-morpholin-4-yl-2-(oxan-3-yl)ethanone
CID 110849361
(2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid
CID 11781067

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal?
The IUPAC name of (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal (CID 142042653) is (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal.
What is the SMILES notation for (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal?
The canonical SMILES for (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal is O=C[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1.
What is the InChIKey of (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal?
The InChIKey is ISCHBDZXCBYSKH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25NO3/c17-12-14(10-13-4-2-1-3-5-13)11-15(18)16-6-8-19-9-7-16/h12-14H,1-11H2/t14-/m1/s1.
What are the key properties of (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal?
(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal has a molecular weight of 267.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal is sourced from PubChem (CID 142042653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).