(2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide

C16H33N3O2 — CID 119839592

IUPAC(2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC(C)(C)N1CC(C)OC(C)C1
InChIInChI=1S/C16H33N3O2/c1-11(2)7-14(17)15(20)18-10-16(5,6)19-8-12(3)21-13(4)9-19/h11-14H,7-10,17H2,1-6H3,(H,18,20)/t12?,13?,14-/m0/s1
InChIKeyXYWBPMMXGDDAMY-RUXDESIVSA-N
MW299.46 g/mol
LogP1.36
Rot. Bonds6

About (2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide

(2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide (PubChem CID 119839592) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide
PubChem CID119839592
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name(2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCC(C)(C)N1CC(C)OC(C)C1
InChIInChI=1S/C16H33N3O2/c1-11(2)7-14(17)15(20)18-10-16(5,6)19-8-12(3)21-13(4)9-19/h11-14H,7-10,17H2,1-6H3,(H,18,20)/t12?,13?,14-/m0/s1
InChIKeyXYWBPMMXGDDAMY-RUXDESIVSA-N
XLogP1.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 104903261
2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylpropanamide
CID 119839528
2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-methylpropanamide;dihydrochloride
CID 119839527
2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylpentanamide
CID 65107509
(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
CID 119709105
2-amino-N-(2,2-dimethylbutyl)-4-methylpentanamide
CID 103461635
(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide
CID 104903660
N-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 87012580
2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-phenylpropanamide
CID 120595010
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119839593
2-amino-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide
CID 115739650
(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide (CID 119839592) is (2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCC(C)(C)N1CC(C)OC(C)C1.
What is the InChIKey of (2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide?
The InChIKey is XYWBPMMXGDDAMY-RUXDESIVSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-11(2)7-14(17)15(20)18-10-16(5,6)19-8-12(3)21-13(4)9-19/h11-14H,7-10,17H2,1-6H3,(H,18,20)/t12?,13?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide?
(2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide has a molecular weight of 299.46 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide is sourced from PubChem (CID 119839592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).