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

C12H23NO3 — CID 103762580

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C12H23NO3/c1-9(2)5-6-11(14)13-7-10-8-15-12(3,4)16-10/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyHITQJCFDABCNGF-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.69
Rot. Bonds5

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methylpentanamide (PubChem CID 103762580) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methylpentanamide
PubChem CID103762580
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C12H23NO3/c1-9(2)5-6-11(14)13-7-10-8-15-12(3,4)16-10/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyHITQJCFDABCNGF-UHFFFAOYSA-N
XLogP1.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methylpentanamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methylpentanamide (CID 103762580) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methylpentanamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methylpentanamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methylpentanamide is CC(C)CCC(=O)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methylpentanamide?
The InChIKey is HITQJCFDABCNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(2)5-6-11(14)13-7-10-8-15-12(3,4)16-10/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methylpentanamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methylpentanamide has a molecular weight of 229.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methylpentanamide is sourced from PubChem (CID 103762580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).