2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hexanamide

C12H24N2O3 — CID 113357238

IUPAC2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hexanamide
SMILESCCCCC(N)C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C12H24N2O3/c1-4-5-6-10(13)11(15)14-7-9-8-16-12(2,3)17-9/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyNYAUXTYIRBOXOJ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.77
Rot. Bonds6

About 2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hexanamide

2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hexanamide (PubChem CID 113357238) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hexanamide
PubChem CID113357238
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hexanamide
SMILESCCCCC(N)C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C12H24N2O3/c1-4-5-6-10(13)11(15)14-7-9-8-16-12(2,3)17-9/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyNYAUXTYIRBOXOJ-UHFFFAOYSA-N
XLogP0.77
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propylpentanamide
CID 103842930
(2R)-2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutanamide
CID 107389469
3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide
CID 107389066
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea
CID 103800989
(2S)-2-amino-N-(2-cyclopropylethyl)hexanamide
CID 103831775
1-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentane-1-carboxamide
CID 107389480
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-hydroxybutanamide
CID 107390241
(2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide
CID 113304830
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethoxyacetamide
CID 103762450
6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-oxohexanoic acid
CID 107388938
5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-oxopentanoic acid
CID 107388957
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide;2,2-dimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide
CID 157188854

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hexanamide?
The IUPAC name of 2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hexanamide (CID 113357238) is 2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hexanamide.
What is the SMILES notation for 2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hexanamide?
The canonical SMILES for 2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hexanamide is CCCCC(N)C(=O)NCC1COC(C)(C)O1.
What is the InChIKey of 2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hexanamide?
The InChIKey is NYAUXTYIRBOXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-5-6-10(13)11(15)14-7-9-8-16-12(2,3)17-9/h9-10H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hexanamide?
2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hexanamide has a molecular weight of 244.33 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hexanamide is sourced from PubChem (CID 113357238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).