N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide

C13H25N3O3 — CID 106915220

IUPACN-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N(C)CCC(=O)NC
InChIInChI=1S/C13H25N3O3/c1-4-6-15-11-9-19-8-10(11)13(18)16(3)7-5-12(17)14-2/h10-11,15H,4-9H2,1-3H3,(H,14,17)
InChIKeyGDRFKAVTHWAVAC-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.40
Rot. Bonds7

About N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide

N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide (PubChem CID 106915220) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide
PubChem CID106915220
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N(C)CCC(=O)NC
InChIInChI=1S/C13H25N3O3/c1-4-6-15-11-9-19-8-10(11)13(18)16(3)7-5-12(17)14-2/h10-11,15H,4-9H2,1-3H3,(H,14,17)
InChIKeyGDRFKAVTHWAVAC-UHFFFAOYSA-N
XLogP-0.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide (CID 106915220) is N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)N(C)CCC(=O)NC.
What is the InChIKey of N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is GDRFKAVTHWAVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-6-15-11-9-19-8-10(11)13(18)16(3)7-5-12(17)14-2/h10-11,15H,4-9H2,1-3H3,(H,14,17).
What are the key properties of N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide?
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 106915220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).