2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide

C9H18N2O3 — CID 61266429

IUPAC2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCC1COCCO1
InChIInChI=1S/C9H18N2O3/c1-9(2,10)8(12)11-5-7-6-13-3-4-14-7/h7H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyKPXADSQQZHUYJG-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.74
Rot. Bonds3

About 2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide

2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide (PubChem CID 61266429) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide
PubChem CID61266429
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCC1COCCO1
InChIInChI=1S/C9H18N2O3/c1-9(2,10)8(12)11-5-7-6-13-3-4-14-7/h7H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyKPXADSQQZHUYJG-UHFFFAOYSA-N
XLogP-0.74
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide
CID 62847455
3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide
CID 64676747
2-amino-2-methyl-N-(oxan-2-ylmethyl)propanamide;hydrochloride
CID 119300308
N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide
CID 61023976
2,2-dimethyl-N-[[(2R)-oxiran-2-yl]methyl]propanamide
CID 71755387
(2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide
CID 167858059
(2R)-2-(1,4-dioxan-2-ylmethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927678
N-tert-butyl-2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)acetamide
CID 155141144
N'-(2-amino-2-sulfanylideneethyl)-N-(1,4-dioxan-2-ylmethyl)oxamide
CID 54908307
1-amino-3-(1,4-dioxan-2-ylmethyl)thiourea
CID 61023162
3-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-ynamide
CID 130658361
2-(1,4-dioxan-2-ylmethylcarbamoylamino)propanoic acid
CID 61209591

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide (CID 61266429) is 2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide is CC(C)(N)C(=O)NCC1COCCO1.
What is the InChIKey of 2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide?
The InChIKey is KPXADSQQZHUYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,10)8(12)11-5-7-6-13-3-4-14-7/h7H,3-6,10H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide?
2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide has a molecular weight of 202.25 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide is sourced from PubChem (CID 61266429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).