tert-butyl N-[(1S)-1-cyclohexyl-4-[[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]amino]-4-oxobutyl]carbamate

C26H49N3O5 — CID 67023693

IUPACtert-butyl N-[(1S)-1-cyclohexyl-4-[[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]amino]-4-oxobutyl]carbamate
SMILESCC(C)(C)OCC(CN1CCOCC1)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C26H49N3O5/c1-25(2,3)33-19-21(18-29-14-16-32-17-15-29)27-23(30)13-12-22(20-10-8-7-9-11-20)28-24(31)34-26(4,5)6/h20-22H,7-19H2,1-6H3,(H,27,30)(H,28,31)/t21?,22-/m0/s1
InChIKeyJCDUZSOYKKMXPI-KEKNWZKVSA-N
MW483.69 g/mol
LogP3.87
Rot. Bonds10

About tert-butyl N-[(1S)-1-cyclohexyl-4-[[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]amino]-4-oxobutyl]carbamate

tert-butyl N-[(1S)-1-cyclohexyl-4-[[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]amino]-4-oxobutyl]carbamate (PubChem CID 67023693) has the molecular formula C26H49N3O5 and a molecular weight of 483.69 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-cyclohexyl-4-[[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]amino]-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-cyclohexyl-4-[[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]amino]-4-oxobutyl]carbamate
PubChem CID67023693
Molecular FormulaC26H49N3O5
Molecular Weight483.69 g/mol
Exact Mass483.37
IUPAC Nametert-butyl N-[(1S)-1-cyclohexyl-4-[[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]amino]-4-oxobutyl]carbamate
SMILESCC(C)(C)OCC(CN1CCOCC1)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C26H49N3O5/c1-25(2,3)33-19-21(18-29-14-16-32-17-15-29)27-23(30)13-12-22(20-10-8-7-9-11-20)28-24(31)34-26(4,5)6/h20-22H,7-19H2,1-6H3,(H,27,30)(H,28,31)/t21?,22-/m0/s1
InChIKeyJCDUZSOYKKMXPI-KEKNWZKVSA-N
XLogP3.87
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.69
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1S)-1-cyclohexyl-4-[[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]amino]-4-oxobutyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-amino-4-cyclohexyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide
CID 67023556
tert-butyl N-[(1S,2R)-1-bromo-1-cyclohexyl-3-morpholin-4-ylpropan-2-yl]carbamate
CID 46838857
4-[[(4-amino-2-hydroxyphenyl)-pyridin-4-ylmethyl]amino]-4-cyclohexyl-N-[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide
CID 91479445
tert-butyl N-[(1R,2S)-2-bromo-1-cyclohexyl-3-morpholin-4-ylpropyl]carbamate
CID 46839009
tert-butyl 4-cyclohexyl-4-(methoxycarbonylamino)butanoate
CID 163923259
tert-butyl N-(1-cyclohexyl-3-hydroxypropyl)carbamate
CID 24729723
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909
tert-butyl N-(3-bromo-1-cyclohexylpropyl)carbamate
CID 24730282
tert-butyl N-[(1S,3S)-1-cyclohexyl-3-hydroxybutyl]carbamate
CID 101197526
(4R)-4-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 169118256
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
tert-butyl N-[(1R)-1-cyclohexyl-2-nitroethyl]carbamate
CID 71474893

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-cyclohexyl-4-[[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]amino]-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-cyclohexyl-4-[[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]amino]-4-oxobutyl]carbamate (CID 67023693) is tert-butyl N-[(1S)-1-cyclohexyl-4-[[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]amino]-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-cyclohexyl-4-[[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]amino]-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-cyclohexyl-4-[[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]amino]-4-oxobutyl]carbamate is CC(C)(C)OCC(CN1CCOCC1)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl N-[(1S)-1-cyclohexyl-4-[[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]amino]-4-oxobutyl]carbamate?
The InChIKey is JCDUZSOYKKMXPI-KEKNWZKVSA-N. The full InChI is InChI=1S/C26H49N3O5/c1-25(2,3)33-19-21(18-29-14-16-32-17-15-29)27-23(30)13-12-22(20-10-8-7-9-11-20)28-24(31)34-26(4,5)6/h20-22H,7-19H2,1-6H3,(H,27,30)(H,28,31)/t21?,22-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-cyclohexyl-4-[[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]amino]-4-oxobutyl]carbamate?
tert-butyl N-[(1S)-1-cyclohexyl-4-[[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]amino]-4-oxobutyl]carbamate has a molecular weight of 483.69 g/mol, XLogP of 3.87, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-cyclohexyl-4-[[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]amino]-4-oxobutyl]carbamate is sourced from PubChem (CID 67023693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).