N-(1,1-dideuterio-2-morpholin-4-ylethyl)-2,3-dimethylpentanamide

C13H26N2O2 — CID 89296356

IUPACN-(1,1-dideuterio-2-morpholin-4-ylethyl)-2,3-dimethylpentanamide
SMILES[2H]C([2H])(CN1CCOCC1)NC(=O)C(C)C(C)CC
InChIInChI=1S/C13H26N2O2/c1-4-11(2)12(3)13(16)14-5-6-15-7-9-17-10-8-15/h11-12H,4-10H2,1-3H3,(H,14,16)/i5D2
InChIKeyIDKFTWLYWLGUGZ-BFWBPSQCSA-N
MW244.38 g/mol
LogP1.12
Rot. Bonds6

About N-(1,1-dideuterio-2-morpholin-4-ylethyl)-2,3-dimethylpentanamide

N-(1,1-dideuterio-2-morpholin-4-ylethyl)-2,3-dimethylpentanamide (PubChem CID 89296356) has the molecular formula C13H26N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(1,1-dideuterio-2-morpholin-4-ylethyl)-2,3-dimethylpentanamide.

Molecular Properties

Compound NameN-(1,1-dideuterio-2-morpholin-4-ylethyl)-2,3-dimethylpentanamide
PubChem CID89296356
Molecular FormulaC13H26N2O2
Molecular Weight244.38 g/mol
Exact Mass244.21
IUPAC NameN-(1,1-dideuterio-2-morpholin-4-ylethyl)-2,3-dimethylpentanamide
SMILES[2H]C([2H])(CN1CCOCC1)NC(=O)C(C)C(C)CC
InChIInChI=1S/C13H26N2O2/c1-4-11(2)12(3)13(16)14-5-6-15-7-9-17-10-8-15/h11-12H,4-10H2,1-3H3,(H,14,16)/i5D2
InChIKeyIDKFTWLYWLGUGZ-BFWBPSQCSA-N
XLogP1.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(1,1,2,2-tetradeuterio-2-morpholin-4-ylethyl)pentanamide
CID 71313294
bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid
CID 134229716
(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 67172232
N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide
CID 68721250
(2S,3S)-3-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 61196351
methyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate
CID 4221669
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
butan-2-yl N-(2-morpholin-4-ylethyl)carbamate;molecular hydrogen
CID 154661230
2-amino-3-ethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 67174978
5-amino-6-methyl-1-morpholin-4-yloctan-4-one
CID 76787155
N,2-dimethylpropanamide;4-pentylmorpholine
CID 170583919
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dideuterio-2-morpholin-4-ylethyl)-2,3-dimethylpentanamide?
The IUPAC name of N-(1,1-dideuterio-2-morpholin-4-ylethyl)-2,3-dimethylpentanamide (CID 89296356) is N-(1,1-dideuterio-2-morpholin-4-ylethyl)-2,3-dimethylpentanamide.
What is the SMILES notation for N-(1,1-dideuterio-2-morpholin-4-ylethyl)-2,3-dimethylpentanamide?
The canonical SMILES for N-(1,1-dideuterio-2-morpholin-4-ylethyl)-2,3-dimethylpentanamide is [2H]C([2H])(CN1CCOCC1)NC(=O)C(C)C(C)CC.
What is the InChIKey of N-(1,1-dideuterio-2-morpholin-4-ylethyl)-2,3-dimethylpentanamide?
The InChIKey is IDKFTWLYWLGUGZ-BFWBPSQCSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-11(2)12(3)13(16)14-5-6-15-7-9-17-10-8-15/h11-12H,4-10H2,1-3H3,(H,14,16)/i5D2.
What are the key properties of N-(1,1-dideuterio-2-morpholin-4-ylethyl)-2,3-dimethylpentanamide?
N-(1,1-dideuterio-2-morpholin-4-ylethyl)-2,3-dimethylpentanamide has a molecular weight of 244.38 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dideuterio-2-morpholin-4-ylethyl)-2,3-dimethylpentanamide is sourced from PubChem (CID 89296356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).