N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide

C15H31N3O2 — CID 66255598

IUPACN-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NC(C)CN(CC)CC
InChIInChI=1S/C15H31N3O2/c1-5-8-16-14-11-20-10-13(14)15(19)17-12(4)9-18(6-2)7-3/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeyYVNWCCWGHJSWAU-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.85
Rot. Bonds9

About N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide

N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66255598) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide
PubChem CID66255598
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NC(C)CN(CC)CC
InChIInChI=1S/C15H31N3O2/c1-5-8-16-14-11-20-10-13(14)15(19)17-12(4)9-18(6-2)7-3/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeyYVNWCCWGHJSWAU-UHFFFAOYSA-N
XLogP0.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide (CID 66255598) is N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NC(C)CN(CC)CC.
What is the InChIKey of N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is YVNWCCWGHJSWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-5-8-16-14-11-20-10-13(14)15(19)17-12(4)9-18(6-2)7-3/h12-14,16H,5-11H2,1-4H3,(H,17,19).
What are the key properties of N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide?
N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 285.43 g/mol, XLogP of 0.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66255598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).