4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide

C24H38N2O2 — CID 4079061

IUPAC4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(C(C)(C)C)CC1)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C24H38N2O2/c1-18(25-23(27)20-10-12-21(13-11-20)24(2,3)4)22(19-8-6-5-7-9-19)26-14-16-28-17-15-26/h5-9,18,20-22H,10-17H2,1-4H3,(H,25,27)
InChIKeyFPKAXAANJAYIHC-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.42
Rot. Bonds5

About 4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide

4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide (PubChem CID 4079061) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide
PubChem CID4079061
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(C(C)(C)C)CC1)C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C24H38N2O2/c1-18(25-23(27)20-10-12-21(13-11-20)24(2,3)4)22(19-8-6-5-7-9-19)26-14-16-28-17-15-26/h5-9,18,20-22H,10-17H2,1-4H3,(H,25,27)
InChIKeyFPKAXAANJAYIHC-UHFFFAOYSA-N
XLogP4.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-morpholin-4-yl-1-phenylpropan-2-yl)but-2-ynamide
CID 146098369
2-fluoro-N-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328047
2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8555472
1-[(3S)-3-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 97329232
5-methyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 3963324
5-methyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2510668
1-(3,4-dichlorophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326040
1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326038
1-(4-cyanophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 51934898
1-(4-cyanophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 51934899
1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 124847702
N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide
CID 2326068

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide (CID 4079061) is 4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide is CC(NC(=O)C1CCC(C(C)(C)C)CC1)C(c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is FPKAXAANJAYIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-18(25-23(27)20-10-12-21(13-11-20)24(2,3)4)22(19-8-6-5-7-9-19)26-14-16-28-17-15-26/h5-9,18,20-22H,10-17H2,1-4H3,(H,25,27).
What are the key properties of 4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide?
4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 386.58 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 4079061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).