N,N-dipropyl-1,3-dioxole-4-carboxamide

C10H17NO3 — CID 91312485

IUPACN,N-dipropyl-1,3-dioxole-4-carboxamide
SMILESCCCN(CCC)C(=O)C1=COCO1
InChIInChI=1S/C10H17NO3/c1-3-5-11(6-4-2)10(12)9-7-13-8-14-9/h7H,3-6,8H2,1-2H3
InChIKeyBQBZFMNLSSJXFR-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.48
Rot. Bonds5

About N,N-dipropyl-1,3-dioxole-4-carboxamide

N,N-dipropyl-1,3-dioxole-4-carboxamide (PubChem CID 91312485) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N,N-dipropyl-1,3-dioxole-4-carboxamide.

Molecular Properties

Compound NameN,N-dipropyl-1,3-dioxole-4-carboxamide
PubChem CID91312485
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN,N-dipropyl-1,3-dioxole-4-carboxamide
SMILESCCCN(CCC)C(=O)C1=COCO1
InChIInChI=1S/C10H17NO3/c1-3-5-11(6-4-2)10(12)9-7-13-8-14-9/h7H,3-6,8H2,1-2H3
InChIKeyBQBZFMNLSSJXFR-UHFFFAOYSA-N
XLogP1.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-1,3-dioxole-4-carboxamide?
The IUPAC name of N,N-dipropyl-1,3-dioxole-4-carboxamide (CID 91312485) is N,N-dipropyl-1,3-dioxole-4-carboxamide.
What is the SMILES notation for N,N-dipropyl-1,3-dioxole-4-carboxamide?
The canonical SMILES for N,N-dipropyl-1,3-dioxole-4-carboxamide is CCCN(CCC)C(=O)C1=COCO1.
What is the InChIKey of N,N-dipropyl-1,3-dioxole-4-carboxamide?
The InChIKey is BQBZFMNLSSJXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-5-11(6-4-2)10(12)9-7-13-8-14-9/h7H,3-6,8H2,1-2H3.
What are the key properties of N,N-dipropyl-1,3-dioxole-4-carboxamide?
N,N-dipropyl-1,3-dioxole-4-carboxamide has a molecular weight of 199.25 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-1,3-dioxole-4-carboxamide is sourced from PubChem (CID 91312485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).