[(3S)-3-cyano-2-(cyclohexylmethyl)-4-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate

C19H31N3O4 — CID 67301078

IUPAC[(3S)-3-cyano-2-(cyclohexylmethyl)-4-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate
SMILESCC(C)[C@](C#N)(OC(N)=O)C(CC1CCCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C19H31N3O4/c1-14(2)19(13-20,26-18(21)24)16(12-15-6-4-3-5-7-15)17(23)22-8-10-25-11-9-22/h14-16H,3-12H2,1-2H3,(H2,21,24)/t16?,19-/m0/s1
InChIKeyDGXYKTQLFRCGAG-CVMIBEPCSA-N
MW365.47 g/mol
LogP2.45
Rot. Bonds6

About [(3S)-3-cyano-2-(cyclohexylmethyl)-4-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate

[(3S)-3-cyano-2-(cyclohexylmethyl)-4-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate (PubChem CID 67301078) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is [(3S)-3-cyano-2-(cyclohexylmethyl)-4-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate.

Molecular Properties

Compound Name[(3S)-3-cyano-2-(cyclohexylmethyl)-4-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate
PubChem CID67301078
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Name[(3S)-3-cyano-2-(cyclohexylmethyl)-4-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate
SMILESCC(C)[C@](C#N)(OC(N)=O)C(CC1CCCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C19H31N3O4/c1-14(2)19(13-20,26-18(21)24)16(12-15-6-4-3-5-7-15)17(23)22-8-10-25-11-9-22/h14-16H,3-12H2,1-2H3,(H2,21,24)/t16?,19-/m0/s1
InChIKeyDGXYKTQLFRCGAG-CVMIBEPCSA-N
XLogP2.45
TPSA105.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-cyano-2-(cyclohexylmethyl)-4-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate with MolForge

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Related Compounds

(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) carbamate
CID 70335727
(2S)-3-cyclohexyl-2-hydroxy-1-morpholin-4-ylpropan-1-one
CID 59949122
(3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 86741929
[(3S)-5-cyano-3-(cyclohexylmethyl)-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate
CID 67300823
tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-morpholin-4-yl-4-oxobutan-2-yl]carbamate
CID 86741927
(2S)-2-cyclohexyl-4-methyl-1-morpholin-4-ylpentan-1-one
CID 159145676
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
CID 119519329
3-(cyclohexylmethyl)-4-morpholin-4-yl-2-oxobutanamide
CID 139942487
(2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95318440
[(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 59414047
(2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid
CID 11781067
2-amino-2-cyclopentyl-1-morpholin-4-ylethanone
CID 54288734

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-cyano-2-(cyclohexylmethyl)-4-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate?
The IUPAC name of [(3S)-3-cyano-2-(cyclohexylmethyl)-4-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate (CID 67301078) is [(3S)-3-cyano-2-(cyclohexylmethyl)-4-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate.
What is the SMILES notation for [(3S)-3-cyano-2-(cyclohexylmethyl)-4-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate?
The canonical SMILES for [(3S)-3-cyano-2-(cyclohexylmethyl)-4-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate is CC(C)[C@](C#N)(OC(N)=O)C(CC1CCCCC1)C(=O)N1CCOCC1.
What is the InChIKey of [(3S)-3-cyano-2-(cyclohexylmethyl)-4-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate?
The InChIKey is DGXYKTQLFRCGAG-CVMIBEPCSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-14(2)19(13-20,26-18(21)24)16(12-15-6-4-3-5-7-15)17(23)22-8-10-25-11-9-22/h14-16H,3-12H2,1-2H3,(H2,21,24)/t16?,19-/m0/s1.
What are the key properties of [(3S)-3-cyano-2-(cyclohexylmethyl)-4-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate?
[(3S)-3-cyano-2-(cyclohexylmethyl)-4-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate has a molecular weight of 365.47 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-cyano-2-(cyclohexylmethyl)-4-methyl-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate is sourced from PubChem (CID 67301078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).