(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C15H23N3O2 — CID 110909640

IUPAC(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCN(C)c1ccc(CNC(=O)N2CCC[C@@H]2CO)cc1
InChIInChI=1S/C15H23N3O2/c1-17(2)13-7-5-12(6-8-13)10-16-15(20)18-9-3-4-14(18)11-19/h5-8,14,19H,3-4,9-11H2,1-2H3,(H,16,20)/t14-/m1/s1
InChIKeyZHHVIWZINFCMCN-CQSZACIVSA-N
MW277.37 g/mol
LogP1.42
Rot. Bonds4

About (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 110909640) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID110909640
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCN(C)c1ccc(CNC(=O)N2CCC[C@@H]2CO)cc1
InChIInChI=1S/C15H23N3O2/c1-17(2)13-7-5-12(6-8-13)10-16-15(20)18-9-3-4-14(18)11-19/h5-8,14,19H,3-4,9-11H2,1-2H3,(H,16,20)/t14-/m1/s1
InChIKeyZHHVIWZINFCMCN-CQSZACIVSA-N
XLogP1.42
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 110909640) is (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2CO)cc1.
What is the InChIKey of (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is ZHHVIWZINFCMCN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17(2)13-7-5-12(6-8-13)10-16-15(20)18-9-3-4-14(18)11-19/h5-8,14,19H,3-4,9-11H2,1-2H3,(H,16,20)/t14-/m1/s1.
What are the key properties of (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 110909640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).