N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide;2,2-dimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide

C19H36N2O6 — CID 157188854

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide;2,2-dimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide
SMILESCC(C)C(=O)NCC1COC(C)(C)O1.CC(C)NC(=O)C1COC(C)(C)O1
InChIInChI=1S/C10H19NO3.C9H17NO3/c1-7(2)9(12)11-5-8-6-13-10(3,4)14-8;1-6(2)10-8(11)7-5-12-9(3,4)13-7/h7-8H,5-6H2,1-4H3,(H,11,12);6-7H,5H2,1-4H3,(H,10,11)
InChIKeyAPLKXPFGLWQUEZ-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.57
Rot. Bonds5

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide;2,2-dimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide;2,2-dimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide (PubChem CID 157188854) has the molecular formula C19H36N2O6 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide;2,2-dimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide;2,2-dimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide
PubChem CID157188854
Molecular FormulaC19H36N2O6
Molecular Weight388.51 g/mol
Exact Mass388.26
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide;2,2-dimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide
SMILESCC(C)C(=O)NCC1COC(C)(C)O1.CC(C)NC(=O)C1COC(C)(C)O1
InChIInChI=1S/C10H19NO3.C9H17NO3/c1-7(2)9(12)11-5-8-6-13-10(3,4)14-8;1-6(2)10-8(11)7-5-12-9(3,4)13-7/h7-8H,5-6H2,1-4H3,(H,11,12);6-7H,5H2,1-4H3,(H,10,11)
InChIKeyAPLKXPFGLWQUEZ-UHFFFAOYSA-N
XLogP1.57
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide;2,2-dimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide with MolForge

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Related Compounds

2-bromo-N,N'-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanediamide
CID 22369352
3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide
CID 107389066
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]bicyclo[4.1.0]heptane-7-carboxamide
CID 103800557
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
1-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentane-1-carboxamide
CID 107389480
2-methyl-N-(oxiran-2-ylmethyl)propanamide
CID 102548474
4-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexane-1-carboxamide
CID 107389239
N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide
CID 7647064

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide;2,2-dimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide?
The IUPAC name of 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) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide;2,2-dimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide;2,2-dimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide;2,2-dimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide is CC(C)C(=O)NCC1COC(C)(C)O1.CC(C)NC(=O)C1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide;2,2-dimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide?
The InChIKey is APLKXPFGLWQUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.C9H17NO3/c1-7(2)9(12)11-5-8-6-13-10(3,4)14-8;1-6(2)10-8(11)7-5-12-9(3,4)13-7/h7-8H,5-6H2,1-4H3,(H,11,12);6-7H,5H2,1-4H3,(H,10,11).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide;2,2-dimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide;2,2-dimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide;2,2-dimethyl-N-propan-2-yl-1,3-dioxolane-4-carboxamide is sourced from PubChem (CID 157188854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).