N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3,4,4-trimethylpentanamide

C16H32N2O3 — CID 111698275

IUPACN-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCC(C)(O)CN1CCOCC1)C(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-13(15(2,3)4)10-14(19)17-11-16(5,20)12-18-6-8-21-9-7-18/h13,20H,6-12H2,1-5H3,(H,17,19)
InChIKeyPKESZYVQRIFNKC-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.26
Rot. Bonds6

About N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3,4,4-trimethylpentanamide

N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3,4,4-trimethylpentanamide (PubChem CID 111698275) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3,4,4-trimethylpentanamide
PubChem CID111698275
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC NameN-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCC(C)(O)CN1CCOCC1)C(C)(C)C
InChIInChI=1S/C16H32N2O3/c1-13(15(2,3)4)10-14(19)17-11-16(5,20)12-18-6-8-21-9-7-18/h13,20H,6-12H2,1-5H3,(H,17,19)
InChIKeyPKESZYVQRIFNKC-UHFFFAOYSA-N
XLogP1.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3,4,4-trimethylpentanamide
CID 113322168
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2-(4-methyl-1H-indol-3-yl)acetamide
CID 111519938
2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111658919
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 111520008
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 111519900
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,3,4,4-tetramethylpentanamide
CID 111912430
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3-phenylfuran-2-carboxamide
CID 111698273
7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 111698284
1-benzyl-N-[(2R)-2-hydroxy-2-methyl-3-morpholin-4-ylpropyl]pyrrole-2-carboxamide
CID 95971967
(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 111698262
2-hydroxy-3-(3,4,4-trimethylpentanoylamino)propanoic acid
CID 66166062

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3,4,4-trimethylpentanamide (CID 111698275) is N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3,4,4-trimethylpentanamide is CC(CC(=O)NCC(C)(O)CN1CCOCC1)C(C)(C)C.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3,4,4-trimethylpentanamide?
The InChIKey is PKESZYVQRIFNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-13(15(2,3)4)10-14(19)17-11-16(5,20)12-18-6-8-21-9-7-18/h13,20H,6-12H2,1-5H3,(H,17,19).
What are the key properties of N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3,4,4-trimethylpentanamide?
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3,4,4-trimethylpentanamide has a molecular weight of 300.44 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 111698275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).