N-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(3-hydroxypropyl)-2-methylpyrrolidine-1-carboxamide

C16H30N2O4 — CID 126804783

IUPACN-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(3-hydroxypropyl)-2-methylpyrrolidine-1-carboxamide
SMILESCC1(CCCO)CCCN1C(=O)NCCC1(O)CCOCC1
InChIInChI=1S/C16H30N2O4/c1-15(5-3-11-19)4-2-10-18(15)14(20)17-9-6-16(21)7-12-22-13-8-16/h19,21H,2-13H2,1H3,(H,17,20)
InChIKeyUWXGBTIQUSHWIT-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.25
Rot. Bonds6

About N-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(3-hydroxypropyl)-2-methylpyrrolidine-1-carboxamide

N-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(3-hydroxypropyl)-2-methylpyrrolidine-1-carboxamide (PubChem CID 126804783) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(3-hydroxypropyl)-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(3-hydroxypropyl)-2-methylpyrrolidine-1-carboxamide
PubChem CID126804783
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC NameN-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(3-hydroxypropyl)-2-methylpyrrolidine-1-carboxamide
SMILESCC1(CCCO)CCCN1C(=O)NCCC1(O)CCOCC1
InChIInChI=1S/C16H30N2O4/c1-15(5-3-11-19)4-2-10-18(15)14(20)17-9-6-16(21)7-12-22-13-8-16/h19,21H,2-13H2,1H3,(H,17,20)
InChIKeyUWXGBTIQUSHWIT-UHFFFAOYSA-N
XLogP1.25
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(3-hydroxypropyl)-2-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(3-hydroxypropyl)-2-methylpyrrolidine-1-carboxamide (CID 126804783) is N-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(3-hydroxypropyl)-2-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(3-hydroxypropyl)-2-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(3-hydroxypropyl)-2-methylpyrrolidine-1-carboxamide is CC1(CCCO)CCCN1C(=O)NCCC1(O)CCOCC1.
What is the InChIKey of N-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(3-hydroxypropyl)-2-methylpyrrolidine-1-carboxamide?
The InChIKey is UWXGBTIQUSHWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-15(5-3-11-19)4-2-10-18(15)14(20)17-9-6-16(21)7-12-22-13-8-16/h19,21H,2-13H2,1H3,(H,17,20).
What are the key properties of N-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(3-hydroxypropyl)-2-methylpyrrolidine-1-carboxamide?
N-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(3-hydroxypropyl)-2-methylpyrrolidine-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyoxan-4-yl)ethyl]-2-(3-hydroxypropyl)-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 126804783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).