(2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C16H24N2O2 — CID 111428098

IUPAC(2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(CCNC(=O)N2CCC[C@H]2CO)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-12-5-6-14(13(2)10-12)7-8-17-16(20)18-9-3-4-15(18)11-19/h5-6,10,15,19H,3-4,7-9,11H2,1-2H3,(H,17,20)/t15-/m0/s1
InChIKeyCJOLKZUDMQSRNL-HNNXBMFYSA-N
MW276.38 g/mol
LogP2.01
Rot. Bonds4

About (2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111428098) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111428098
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(CCNC(=O)N2CCC[C@H]2CO)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-12-5-6-14(13(2)10-12)7-8-17-16(20)18-9-3-4-15(18)11-19/h5-6,10,15,19H,3-4,7-9,11H2,1-2H3,(H,17,20)/t15-/m0/s1
InChIKeyCJOLKZUDMQSRNL-HNNXBMFYSA-N
XLogP2.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111428098) is (2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is Cc1ccc(CCNC(=O)N2CCC[C@H]2CO)c(C)c1.
What is the InChIKey of (2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is CJOLKZUDMQSRNL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-6-14(13(2)10-12)7-8-17-16(20)18-9-3-4-15(18)11-19/h5-6,10,15,19H,3-4,7-9,11H2,1-2H3,(H,17,20)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111428098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).