(2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide

C17H33N3O2 — CID 119882992

IUPAC(2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide
SMILESCC[C@H](N)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1
InChIInChI=1S/C17H33N3O2/c1-4-14(18)15(21)19-12-17(8-6-5-7-9-17)20-10-11-22-16(2,3)13-20/h14H,4-13,18H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeySPOPAKXISJMDDF-AWEZNQCLSA-N
MW311.47 g/mol
LogP1.65
Rot. Bonds5

About (2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide

(2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide (PubChem CID 119882992) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide
PubChem CID119882992
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name(2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide
SMILESCC[C@H](N)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1
InChIInChI=1S/C17H33N3O2/c1-4-14(18)15(21)19-12-17(8-6-5-7-9-17)20-10-11-22-16(2,3)13-20/h14H,4-13,18H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeySPOPAKXISJMDDF-AWEZNQCLSA-N
XLogP1.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119883003
(2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
CID 119886716
N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2-ethylbenzamide
CID 138058577
(2R)-2-amino-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 56875780
3-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122001444
N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2-(tetrazol-1-yl)acetamide
CID 56784186
2-amino-3-methoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 120983514
2-(2-aminoethyl)-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646616
1-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2-methyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119158572
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 78789816
(2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide
CID 119887110
(2R)-2-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 51715596

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide (CID 119882992) is (2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide is CC[C@H](N)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1.
What is the InChIKey of (2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide?
The InChIKey is SPOPAKXISJMDDF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-4-14(18)15(21)19-12-17(8-6-5-7-9-17)20-10-11-22-16(2,3)13-20/h14H,4-13,18H2,1-3H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide?
(2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide has a molecular weight of 311.47 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]butanamide is sourced from PubChem (CID 119882992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).