2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide

C20H32N2O5 — CID 91319141

IUPAC2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide
SMILESCC1(NC(=O)C(CC(=O)N2CCOCC2)CC2CCCCC2)CC(=O)CO1
InChIInChI=1S/C20H32N2O5/c1-20(13-17(23)14-27-20)21-19(25)16(11-15-5-3-2-4-6-15)12-18(24)22-7-9-26-10-8-22/h15-16H,2-14H2,1H3,(H,21,25)
InChIKeyRUGPKMYTUPSJQE-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.64
Rot. Bonds6

About 2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide

2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 91319141) has the molecular formula C20H32N2O5 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide
PubChem CID91319141
Molecular FormulaC20H32N2O5
Molecular Weight380.49 g/mol
Exact Mass380.23
IUPAC Name2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide
SMILESCC1(NC(=O)C(CC(=O)N2CCOCC2)CC2CCCCC2)CC(=O)CO1
InChIInChI=1S/C20H32N2O5/c1-20(13-17(23)14-27-20)21-19(25)16(11-15-5-3-2-4-6-15)12-18(24)22-7-9-26-10-8-22/h15-16H,2-14H2,1H3,(H,21,25)
InChIKeyRUGPKMYTUPSJQE-UHFFFAOYSA-N
XLogP1.64
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide
CID 59066412
(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
N-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 59972960
(2R)-N-[(3S)-3-cyano-1-[(1R,2R)-2-methylcyclohexyl]pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 20601567
2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxo-N-[1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide
CID 44566073
(2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 59972940
2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 22054086
(2R)-N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[(4-methylcyclohexyl)methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 70078177
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)-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
(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal
CID 142042653

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of 2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide (CID 91319141) is 2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for 2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for 2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide is CC1(NC(=O)C(CC(=O)N2CCOCC2)CC2CCCCC2)CC(=O)CO1.
What is the InChIKey of 2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is RUGPKMYTUPSJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O5/c1-20(13-17(23)14-27-20)21-19(25)16(11-15-5-3-2-4-6-15)12-18(24)22-7-9-26-10-8-22/h15-16H,2-14H2,1H3,(H,21,25).
What are the key properties of 2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide?
2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 380.49 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 91319141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).