2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide

C16H24N2O3 — CID 111428052

IUPAC2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
SMILESCc1cccc(OCC(C)NC(=O)N2CCCC2CO)c1
InChIInChI=1S/C16H24N2O3/c1-12-5-3-7-15(9-12)21-11-13(2)17-16(20)18-8-4-6-14(18)10-19/h3,5,7,9,13-14,19H,4,6,8,10-11H2,1-2H3,(H,17,20)
InChIKeyVOAMFSYMXYCZMY-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.93
Rot. Bonds5

About 2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide

2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 111428052) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
PubChem CID111428052
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
SMILESCc1cccc(OCC(C)NC(=O)N2CCCC2CO)c1
InChIInChI=1S/C16H24N2O3/c1-12-5-3-7-15(9-12)21-11-13(2)17-16(20)18-8-4-6-14(18)10-19/h3,5,7,9,13-14,19H,4,6,8,10-11H2,1-2H3,(H,17,20)
InChIKeyVOAMFSYMXYCZMY-UHFFFAOYSA-N
XLogP1.93
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide (CID 111428052) is 2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide is Cc1cccc(OCC(C)NC(=O)N2CCCC2CO)c1.
What is the InChIKey of 2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is VOAMFSYMXYCZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-5-3-7-15(9-12)21-11-13(2)17-16(20)18-8-4-6-14(18)10-19/h3,5,7,9,13-14,19H,4,6,8,10-11H2,1-2H3,(H,17,20).
What are the key properties of 2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide?
2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111428052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).