3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide

C10H18ClNO3 — CID 107389066

IUPAC3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide
SMILESCC(CCl)C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C10H18ClNO3/c1-7(4-11)9(13)12-5-8-6-14-10(2,3)15-8/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeyAMXZLQGDWHXYKZ-UHFFFAOYSA-N
MW235.71 g/mol
LogP1.13
Rot. Bonds4

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

3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide (PubChem CID 107389066) has the molecular formula C10H18ClNO3 and a molecular weight of 235.71 g/mol. Its IUPAC name is 3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide
PubChem CID107389066
Molecular FormulaC10H18ClNO3
Molecular Weight235.71 g/mol
Exact Mass235.10
IUPAC Name3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide
SMILESCC(CCl)C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C10H18ClNO3/c1-7(4-11)9(13)12-5-8-6-14-10(2,3)15-8/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeyAMXZLQGDWHXYKZ-UHFFFAOYSA-N
XLogP1.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N,N'-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanediamide
CID 22369352
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-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide
CID 107389487
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
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2,3,3-tetrafluoropropanamide
CID 113264633
2-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hexanamide
CID 113357238
3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-dimethylurea
CID 103800989
3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
CID 79358044
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
4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103762524

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide?
The IUPAC name of 3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide (CID 107389066) is 3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide is CC(CCl)C(=O)NCC1COC(C)(C)O1.
What is the InChIKey of 3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide?
The InChIKey is AMXZLQGDWHXYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO3/c1-7(4-11)9(13)12-5-8-6-14-10(2,3)15-8/h7-8H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide?
3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide has a molecular weight of 235.71 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 107389066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).