N-(2-methylpropyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide

C18H28N2O — CID 46882938

IUPACN-(2-methylpropyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCC(C)CN(C(=O)c1ccccc1C(C)C)[C@H]1CCNC1
InChIInChI=1S/C18H28N2O/c1-13(2)12-20(15-9-10-19-11-15)18(21)17-8-6-5-7-16(17)14(3)4/h5-8,13-15,19H,9-12H2,1-4H3/t15-/m0/s1
InChIKeyWUTRVCAUFFQVGX-HNNXBMFYSA-N
MW288.44 g/mol
LogP3.27
Rot. Bonds5

About N-(2-methylpropyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide

N-(2-methylpropyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 46882938) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID46882938
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(2-methylpropyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCC(C)CN(C(=O)c1ccccc1C(C)C)[C@H]1CCNC1
InChIInChI=1S/C18H28N2O/c1-13(2)12-20(15-9-10-19-11-15)18(21)17-8-6-5-7-16(17)14(3)4/h5-8,13-15,19H,9-12H2,1-4H3/t15-/m0/s1
InChIKeyWUTRVCAUFFQVGX-HNNXBMFYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-(2-methylpropyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 46882938) is N-(2-methylpropyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-(2-methylpropyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide is CC(C)CN(C(=O)c1ccccc1C(C)C)[C@H]1CCNC1.
What is the InChIKey of N-(2-methylpropyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is WUTRVCAUFFQVGX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)12-20(15-9-10-19-11-15)18(21)17-8-6-5-7-16(17)14(3)4/h5-8,13-15,19H,9-12H2,1-4H3/t15-/m0/s1.
What are the key properties of N-(2-methylpropyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide?
N-(2-methylpropyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 288.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 46882938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).