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

C14H27NO3 — CID 103762454

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C14H27NO3/c1-5-7-8-11(6-2)13(16)15-9-12-10-17-14(3,4)18-12/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyVIQYBCHZEKVDFC-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.47
Rot. Bonds7

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylhexanamide (PubChem CID 103762454) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylhexanamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylhexanamide
PubChem CID103762454
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C14H27NO3/c1-5-7-8-11(6-2)13(16)15-9-12-10-17-14(3,4)18-12/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyVIQYBCHZEKVDFC-UHFFFAOYSA-N
XLogP2.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.47
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]-2-ethylhexanamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylhexanamide (CID 103762454) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylhexanamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylhexanamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylhexanamide is CCCCC(CC)C(=O)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylhexanamide?
The InChIKey is VIQYBCHZEKVDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-7-8-11(6-2)13(16)15-9-12-10-17-14(3,4)18-12/h11-12H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylhexanamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylhexanamide has a molecular weight of 257.37 g/mol, XLogP of 2.47, 7 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]-2-ethylhexanamide is sourced from PubChem (CID 103762454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).