3-amino-N-[3-(diethylamino)-3-oxopropyl]oxolane-3-carboxamide

C12H23N3O3 — CID 64891541

IUPAC3-amino-N-[3-(diethylamino)-3-oxopropyl]oxolane-3-carboxamide
SMILESCCN(CC)C(=O)CCNC(=O)C1(N)CCOC1
InChIInChI=1S/C12H23N3O3/c1-3-15(4-2)10(16)5-7-14-11(17)12(13)6-8-18-9-12/h3-9,13H2,1-2H3,(H,14,17)
InChIKeyFKWNQVBDXZRENW-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.52
Rot. Bonds6

About 3-amino-N-[3-(diethylamino)-3-oxopropyl]oxolane-3-carboxamide

3-amino-N-[3-(diethylamino)-3-oxopropyl]oxolane-3-carboxamide (PubChem CID 64891541) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-amino-N-[3-(diethylamino)-3-oxopropyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(diethylamino)-3-oxopropyl]oxolane-3-carboxamide
PubChem CID64891541
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3-amino-N-[3-(diethylamino)-3-oxopropyl]oxolane-3-carboxamide
SMILESCCN(CC)C(=O)CCNC(=O)C1(N)CCOC1
InChIInChI=1S/C12H23N3O3/c1-3-15(4-2)10(16)5-7-14-11(17)12(13)6-8-18-9-12/h3-9,13H2,1-2H3,(H,14,17)
InChIKeyFKWNQVBDXZRENW-UHFFFAOYSA-N
XLogP-0.52
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(diethylamino)-3-oxopropyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[3-(diethylamino)-3-oxopropyl]oxolane-3-carboxamide (CID 64891541) is 3-amino-N-[3-(diethylamino)-3-oxopropyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(diethylamino)-3-oxopropyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[3-(diethylamino)-3-oxopropyl]oxolane-3-carboxamide is CCN(CC)C(=O)CCNC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-[3-(diethylamino)-3-oxopropyl]oxolane-3-carboxamide?
The InChIKey is FKWNQVBDXZRENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-15(4-2)10(16)5-7-14-11(17)12(13)6-8-18-9-12/h3-9,13H2,1-2H3,(H,14,17).
What are the key properties of 3-amino-N-[3-(diethylamino)-3-oxopropyl]oxolane-3-carboxamide?
3-amino-N-[3-(diethylamino)-3-oxopropyl]oxolane-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(diethylamino)-3-oxopropyl]oxolane-3-carboxamide is sourced from PubChem (CID 64891541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).