3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide

C22H36N2O2 — CID 35363430

IUPAC3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
SMILESCC(C)CN1CCO[C@@H](CNC(=O)CCc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C22H36N2O2/c1-17(2)15-24-12-13-26-20(16-24)14-23-21(25)11-8-18-6-9-19(10-7-18)22(3,4)5/h6-7,9-10,17,20H,8,11-16H2,1-5H3,(H,23,25)/t20-/m0/s1
InChIKeyFVDCLQJURKRSNM-FQEVSTJZSA-N
MW360.54 g/mol
LogP3.39
Rot. Bonds7

About 3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide

3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide (PubChem CID 35363430) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
PubChem CID35363430
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
SMILESCC(C)CN1CCO[C@@H](CNC(=O)CCc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C22H36N2O2/c1-17(2)15-24-12-13-26-20(16-24)14-23-21(25)11-8-18-6-9-19(10-7-18)22(3,4)5/h6-7,9-10,17,20H,8,11-16H2,1-5H3,(H,23,25)/t20-/m0/s1
InChIKeyFVDCLQJURKRSNM-FQEVSTJZSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 134032540
3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 30538476
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 35365201
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[2-methyl-4-(trifluoromethyl)phenoxy]acetamide
CID 100672511
4-(3,4-dimethylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxobutanamide
CID 30538416
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 94823939
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenylsulfanylacetamide
CID 78812434
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55648984
2-(2,6-dibromophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 60594057
2-(4-cyanophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51214759
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55682446
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide (CID 35363430) is 3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide is CC(C)CN1CCO[C@@H](CNC(=O)CCc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
The InChIKey is FVDCLQJURKRSNM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-17(2)15-24-12-13-26-20(16-24)14-23-21(25)11-8-18-6-9-19(10-7-18)22(3,4)5/h6-7,9-10,17,20H,8,11-16H2,1-5H3,(H,23,25)/t20-/m0/s1.
What are the key properties of 3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide has a molecular weight of 360.54 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide is sourced from PubChem (CID 35363430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).