tert-butyl (3S,4E)-4-(carbamoylhydrazinylidene)-3-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]butanoate

C24H41N5O6 — CID 58999663

IUPACtert-butyl (3S,4E)-4-(carbamoylhydrazinylidene)-3-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]butanoate
SMILESCC(C)(C)OC(=O)C[C@@H](/C=N/NC(N)=O)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
InChIInChI=1S/C24H41N5O6/c1-24(2,3)35-21(31)15-19(16-26-28-23(25)33)27-22(32)18(13-17-7-5-4-6-8-17)14-20(30)29-9-11-34-12-10-29/h16-19H,4-15H2,1-3H3,(H,27,32)(H3,25,28,33)/b26-16+/t18-,19+/m1/s1
InChIKeyKTFNLAHABUEFCV-QVUQXXGTSA-N
MW495.62 g/mol
LogP1.69
Rot. Bonds10

About tert-butyl (3S,4E)-4-(carbamoylhydrazinylidene)-3-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]butanoate

tert-butyl (3S,4E)-4-(carbamoylhydrazinylidene)-3-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]butanoate (PubChem CID 58999663) has the molecular formula C24H41N5O6 and a molecular weight of 495.62 g/mol. Its IUPAC name is tert-butyl (3S,4E)-4-(carbamoylhydrazinylidene)-3-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]butanoate.

Molecular Properties

Compound Nametert-butyl (3S,4E)-4-(carbamoylhydrazinylidene)-3-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]butanoate
PubChem CID58999663
Molecular FormulaC24H41N5O6
Molecular Weight495.62 g/mol
Exact Mass495.31
IUPAC Nametert-butyl (3S,4E)-4-(carbamoylhydrazinylidene)-3-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]butanoate
SMILESCC(C)(C)OC(=O)C[C@@H](/C=N/NC(N)=O)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
InChIInChI=1S/C24H41N5O6/c1-24(2,3)35-21(31)15-19(16-26-28-23(25)33)27-22(32)18(13-17-7-5-4-6-8-17)14-20(30)29-9-11-34-12-10-29/h16-19H,4-15H2,1-3H3,(H,27,32)(H3,25,28,33)/b26-16+/t18-,19+/m1/s1
InChIKeyKTFNLAHABUEFCV-QVUQXXGTSA-N
XLogP1.69
TPSA152.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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
2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxo-N-[1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide
CID 44566073
(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
cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide
CID 59066412
2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide
CID 91319141
2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 22054086
tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxy-4-morpholin-4-yl-4-oxobutan-2-yl]carbamate
CID 86741927
(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-4-phenyl-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide
CID 11433280
(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal
CID 142042653
2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665
(2R)-N-[(3S)-3-cyano-1-[(1R,2R)-2-methylcyclohexyl]pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 20601567

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4E)-4-(carbamoylhydrazinylidene)-3-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]butanoate?
The IUPAC name of tert-butyl (3S,4E)-4-(carbamoylhydrazinylidene)-3-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]butanoate (CID 58999663) is tert-butyl (3S,4E)-4-(carbamoylhydrazinylidene)-3-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]butanoate.
What is the SMILES notation for tert-butyl (3S,4E)-4-(carbamoylhydrazinylidene)-3-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]butanoate?
The canonical SMILES for tert-butyl (3S,4E)-4-(carbamoylhydrazinylidene)-3-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]butanoate is CC(C)(C)OC(=O)C[C@@H](/C=N/NC(N)=O)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1.
What is the InChIKey of tert-butyl (3S,4E)-4-(carbamoylhydrazinylidene)-3-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]butanoate?
The InChIKey is KTFNLAHABUEFCV-QVUQXXGTSA-N. The full InChI is InChI=1S/C24H41N5O6/c1-24(2,3)35-21(31)15-19(16-26-28-23(25)33)27-22(32)18(13-17-7-5-4-6-8-17)14-20(30)29-9-11-34-12-10-29/h16-19H,4-15H2,1-3H3,(H,27,32)(H3,25,28,33)/b26-16+/t18-,19+/m1/s1.
What are the key properties of tert-butyl (3S,4E)-4-(carbamoylhydrazinylidene)-3-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]butanoate?
tert-butyl (3S,4E)-4-(carbamoylhydrazinylidene)-3-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]butanoate has a molecular weight of 495.62 g/mol, XLogP of 1.69, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4E)-4-(carbamoylhydrazinylidene)-3-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]butanoate is sourced from PubChem (CID 58999663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).