5-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1-azatricyclo[3.3.1.13,7]decane-3-carboxamide

C23H33N3O — CID 70176418

IUPAC5-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1-azatricyclo[3.3.1.13,7]decane-3-carboxamide
SMILESCC12CC3CN(C1)CC(C(=O)NC1CCN(CCc4ccccc4)C1)(C3)C2
InChIInChI=1S/C23H33N3O/c1-22-11-19-12-23(15-22,17-26(13-19)16-22)21(27)24-20-8-10-25(14-20)9-7-18-5-3-2-4-6-18/h2-6,19-20H,7-17H2,1H3,(H,24,27)
InChIKeyZQKHXCZPUVDEFN-UHFFFAOYSA-N
MW367.54 g/mol
LogP2.54
Rot. Bonds5

About 5-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1-azatricyclo[3.3.1.13,7]decane-3-carboxamide

5-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1-azatricyclo[3.3.1.13,7]decane-3-carboxamide (PubChem CID 70176418) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 5-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1-azatricyclo[3.3.1.13,7]decane-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1-azatricyclo[3.3.1.13,7]decane-3-carboxamide
PubChem CID70176418
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name5-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1-azatricyclo[3.3.1.13,7]decane-3-carboxamide
SMILESCC12CC3CN(C1)CC(C(=O)NC1CCN(CCc4ccccc4)C1)(C3)C2
InChIInChI=1S/C23H33N3O/c1-22-11-19-12-23(15-22,17-26(13-19)16-22)21(27)24-20-8-10-25(14-20)9-7-18-5-3-2-4-6-18/h2-6,19-20H,7-17H2,1H3,(H,24,27)
InChIKeyZQKHXCZPUVDEFN-UHFFFAOYSA-N
XLogP2.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide
CID 22888129
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[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
(5S)-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1,4-diazabicyclo[3.2.1]octane-4-carboxamide
CID 22888066
(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 2712549
N-[(3S)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide;hydrate;hydrochloride
CID 70172047
N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide
CID 18411925
N-[1-(2-phenylethyl)pyrrolidin-3-yl]-9H-fluorene-9-carboxamide
CID 22888133
N-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]acetamide
CID 61212881
tert-butyl N-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]carbamate
CID 107237024
N-[(2R)-1-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 39910717
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxamide
CID 165485504

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1-azatricyclo[3.3.1.13,7]decane-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1-azatricyclo[3.3.1.13,7]decane-3-carboxamide (CID 70176418) is 5-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1-azatricyclo[3.3.1.13,7]decane-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1-azatricyclo[3.3.1.13,7]decane-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1-azatricyclo[3.3.1.13,7]decane-3-carboxamide is CC12CC3CN(C1)CC(C(=O)NC1CCN(CCc4ccccc4)C1)(C3)C2.
What is the InChIKey of 5-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1-azatricyclo[3.3.1.13,7]decane-3-carboxamide?
The InChIKey is ZQKHXCZPUVDEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-22-11-19-12-23(15-22,17-26(13-19)16-22)21(27)24-20-8-10-25(14-20)9-7-18-5-3-2-4-6-18/h2-6,19-20H,7-17H2,1H3,(H,24,27).
What are the key properties of 5-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1-azatricyclo[3.3.1.13,7]decane-3-carboxamide?
5-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1-azatricyclo[3.3.1.13,7]decane-3-carboxamide has a molecular weight of 367.54 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1-azatricyclo[3.3.1.13,7]decane-3-carboxamide is sourced from PubChem (CID 70176418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).