(2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide

C11H22N2O3 — CID 167858059

IUPAC(2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](NCC1COCCO1)C(N)=O
InChIInChI=1S/C11H22N2O3/c1-11(2,3)9(10(12)14)13-6-8-7-15-4-5-16-8/h8-9,13H,4-7H2,1-3H3,(H2,12,14)/t8?,9-/m1/s1
InChIKeyUQZLQODSBDWMJB-YGPZHTELSA-N
MW230.31 g/mol
LogP-0.11
Rot. Bonds4

About (2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide

(2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide (PubChem CID 167858059) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide
PubChem CID167858059
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](NCC1COCCO1)C(N)=O
InChIInChI=1S/C11H22N2O3/c1-11(2,3)9(10(12)14)13-6-8-7-15-4-5-16-8/h8-9,13H,4-7H2,1-3H3,(H2,12,14)/t8?,9-/m1/s1
InChIKeyUQZLQODSBDWMJB-YGPZHTELSA-N
XLogP-0.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1,4-dioxan-2-ylmethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927678
2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide
CID 61266429
2-amino-3-(1,4-dioxan-2-ylmethylamino)propanamide
CID 103242220
3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide
CID 64676747
N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide
CID 62847455
2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide
CID 61024472
1,4-dioxan-2-ylmethyl methyl carbonate
CID 21305997
1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 61023563
2-(1,4-dioxan-2-ylmethylsulfamoyl)propanoic acid
CID 61457773
(2S)-2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82961450
N-(1,4-dioxan-2-ylmethyl)hydroxylamine
CID 88551230
N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide
CID 61023976

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide (CID 167858059) is (2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide is CC(C)(C)[C@H](NCC1COCCO1)C(N)=O.
What is the InChIKey of (2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide?
The InChIKey is UQZLQODSBDWMJB-YGPZHTELSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)9(10(12)14)13-6-8-7-15-4-5-16-8/h8-9,13H,4-7H2,1-3H3,(H2,12,14)/t8?,9-/m1/s1.
What are the key properties of (2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide?
(2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide has a molecular weight of 230.31 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide is sourced from PubChem (CID 167858059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).