5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide

C18H26N2O2 — CID 95629166

IUPAC5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(N2CCCC2)c(C(=O)NCC[C@@H]2CCCO2)c1
InChIInChI=1S/C18H26N2O2/c1-14-6-7-17(20-10-2-3-11-20)16(13-14)18(21)19-9-8-15-5-4-12-22-15/h6-7,13,15H,2-5,8-12H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyJBRJDRMQEQQDGD-HNNXBMFYSA-N
MW302.42 g/mol
LogP2.89
Rot. Bonds5

About 5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide

5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide (PubChem CID 95629166) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide
PubChem CID95629166
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(N2CCCC2)c(C(=O)NCC[C@@H]2CCCO2)c1
InChIInChI=1S/C18H26N2O2/c1-14-6-7-17(20-10-2-3-11-20)16(13-14)18(21)19-9-8-15-5-4-12-22-15/h6-7,13,15H,2-5,8-12H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyJBRJDRMQEQQDGD-HNNXBMFYSA-N
XLogP2.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536950
5-(3,3-dimethylbutanoylamino)-N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 5011240
5-(cyclopropanecarbonylamino)-N-[[(2R)-oxolan-2-yl]methyl]-2-piperidin-1-ylbenzamide
CID 1055087
5-(cyclopropanecarbonylamino)-N-[[(2S)-oxolan-2-yl]methyl]-2-piperidin-1-ylbenzamide
CID 1055088
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
4-methyl-N-[2-[2-(oxolan-2-yl)ethylamino]ethyl]benzamide
CID 65163508
5-(butanoylamino)-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide
CID 5152082
5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide
CID 62509999
3-methyl-4-(methylamino)-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55164039
N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-2-pyrrolidin-1-ylbenzamide
CID 111484468
5-[(4-methylsulfanylphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide
CID 3889646
3-amino-5-methyl-N-[2-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 107932303

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide (CID 95629166) is 5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide is Cc1ccc(N2CCCC2)c(C(=O)NCC[C@@H]2CCCO2)c1.
What is the InChIKey of 5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is JBRJDRMQEQQDGD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-6-7-17(20-10-2-3-11-20)16(13-14)18(21)19-9-8-15-5-4-12-22-15/h6-7,13,15H,2-5,8-12H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of 5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide?
5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 302.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 95629166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).