N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide

C13H23NO4 — CID 20642171

IUPACN-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide
SMILESCC(=O)CCN(CCCC1(C)OCCO1)C(C)=O
InChIInChI=1S/C13H23NO4/c1-11(15)5-8-14(12(2)16)7-4-6-13(3)17-9-10-18-13/h4-10H2,1-3H3
InChIKeyNMTSDJXLEMYXGK-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.36
Rot. Bonds7

About N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide

N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide (PubChem CID 20642171) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide
PubChem CID20642171
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC NameN-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide
SMILESCC(=O)CCN(CCCC1(C)OCCO1)C(C)=O
InChIInChI=1S/C13H23NO4/c1-11(15)5-8-14(12(2)16)7-4-6-13(3)17-9-10-18-13/h4-10H2,1-3H3
InChIKeyNMTSDJXLEMYXGK-UHFFFAOYSA-N
XLogP1.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one;2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)butanal
CID 161106627
2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane
CID 130120416
Se-methyl 3-(2-methyl-1,3-dioxolan-2-yl)propaneselenoate
CID 13496983
(4S,5S)-5-hydroxy-4,6-dimethyl-1-(2-methyl-1,3-dioxolan-2-yl)heptan-3-one
CID 23583269
2-(4-chlorobutyl)-2-methyl-1,3-dioxolane
CID 10965102
2-methyl-2-nonyl-1,3-dioxolane
CID 10013506
6-(2-methyl-1,3-dioxolan-2-yl)hexanal
CID 11052346
1,1,2,2-tetradeuterio-3-(2-methyl-1,3-dioxolan-2-yl)propan-1-ol
CID 46782226
[2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate
CID 154641855
trimethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]silane
CID 10710872
2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol
CID 14689313
N-heptadecyl-N-tridecylacetamide
CID 172567567

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide?
The IUPAC name of N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide (CID 20642171) is N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide?
The canonical SMILES for N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide is CC(=O)CCN(CCCC1(C)OCCO1)C(C)=O.
What is the InChIKey of N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide?
The InChIKey is NMTSDJXLEMYXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-11(15)5-8-14(12(2)16)7-4-6-13(3)17-9-10-18-13/h4-10H2,1-3H3.
What are the key properties of N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide?
N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide has a molecular weight of 257.33 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-N-(3-oxobutyl)acetamide is sourced from PubChem (CID 20642171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).