[(3S)-5-cyano-3-(cyclohexylmethyl)-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate

C18H29N3O4 — CID 67300823

IUPAC[(3S)-5-cyano-3-(cyclohexylmethyl)-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate
SMILESN#CCC[C@@](CC(=O)N1CCOCC1)(CC1CCCCC1)OC(N)=O
InChIInChI=1S/C18H29N3O4/c19-8-4-7-18(25-17(20)23,13-15-5-2-1-3-6-15)14-16(22)21-9-11-24-12-10-21/h15H,1-7,9-14H2,(H2,20,23)/t18-/m0/s1
InChIKeyQRNKUUFIMFTCGO-SFHVURJKSA-N
MW351.45 g/mol
LogP2.34
Rot. Bonds7

About [(3S)-5-cyano-3-(cyclohexylmethyl)-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate

[(3S)-5-cyano-3-(cyclohexylmethyl)-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate (PubChem CID 67300823) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is [(3S)-5-cyano-3-(cyclohexylmethyl)-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate.

Molecular Properties

Compound Name[(3S)-5-cyano-3-(cyclohexylmethyl)-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate
PubChem CID67300823
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name[(3S)-5-cyano-3-(cyclohexylmethyl)-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate
SMILESN#CCC[C@@](CC(=O)N1CCOCC1)(CC1CCCCC1)OC(N)=O
InChIInChI=1S/C18H29N3O4/c19-8-4-7-18(25-17(20)23,13-15-5-2-1-3-6-15)14-16(22)21-9-11-24-12-10-21/h15H,1-7,9-14H2,(H2,20,23)/t18-/m0/s1
InChIKeyQRNKUUFIMFTCGO-SFHVURJKSA-N
XLogP2.34
TPSA105.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-5-cyano-3-(cyclohexylmethyl)-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate?
The IUPAC name of [(3S)-5-cyano-3-(cyclohexylmethyl)-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate (CID 67300823) is [(3S)-5-cyano-3-(cyclohexylmethyl)-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate.
What is the SMILES notation for [(3S)-5-cyano-3-(cyclohexylmethyl)-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate?
The canonical SMILES for [(3S)-5-cyano-3-(cyclohexylmethyl)-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate is N#CCC[C@@](CC(=O)N1CCOCC1)(CC1CCCCC1)OC(N)=O.
What is the InChIKey of [(3S)-5-cyano-3-(cyclohexylmethyl)-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate?
The InChIKey is QRNKUUFIMFTCGO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H29N3O4/c19-8-4-7-18(25-17(20)23,13-15-5-2-1-3-6-15)14-16(22)21-9-11-24-12-10-21/h15H,1-7,9-14H2,(H2,20,23)/t18-/m0/s1.
What are the key properties of [(3S)-5-cyano-3-(cyclohexylmethyl)-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate?
[(3S)-5-cyano-3-(cyclohexylmethyl)-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate has a molecular weight of 351.45 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-cyano-3-(cyclohexylmethyl)-1-morpholin-4-yl-1-oxopentan-3-yl] carbamate is sourced from PubChem (CID 67300823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).