N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propanamide

C16H24N2O2 — CID 86786927

IUPACN-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccccc1CN1CCCC1CO
InChIInChI=1S/C16H24N2O2/c1-2-16(20)17-10-13-6-3-4-7-14(13)11-18-9-5-8-15(18)12-19/h3-4,6-7,15,19H,2,5,8-12H2,1H3,(H,17,20)
InChIKeyGDFXCEZQILFABP-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.67
Rot. Bonds6

About N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propanamide

N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propanamide (PubChem CID 86786927) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propanamide
PubChem CID86786927
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccccc1CN1CCCC1CO
InChIInChI=1S/C16H24N2O2/c1-2-16(20)17-10-13-6-3-4-7-14(13)11-18-9-5-8-15(18)12-19/h3-4,6-7,15,19H,2,5,8-12H2,1H3,(H,17,20)
InChIKeyGDFXCEZQILFABP-UHFFFAOYSA-N
XLogP1.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propanamide?
The IUPAC name of N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propanamide (CID 86786927) is N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propanamide.
What is the SMILES notation for N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propanamide?
The canonical SMILES for N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propanamide is CCC(=O)NCc1ccccc1CN1CCCC1CO.
What is the InChIKey of N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propanamide?
The InChIKey is GDFXCEZQILFABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-16(20)17-10-13-6-3-4-7-14(13)11-18-9-5-8-15(18)12-19/h3-4,6-7,15,19H,2,5,8-12H2,1H3,(H,17,20).
What are the key properties of N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propanamide?
N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 86786927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).