N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide

C24H34N2O — CID 18411925

IUPACN-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide
SMILESCN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CCN(CCc2ccccc2)C1
InChIInChI=1S/C24H34N2O/c1-25(22-8-10-26(17-22)9-7-18-5-3-2-4-6-18)23(27)24-14-19-11-20(15-24)13-21(12-19)16-24/h2-6,19-22H,7-17H2,1H3
InChIKeyDWXXTZOGUKUUED-UHFFFAOYSA-N
MW366.55 g/mol
LogP3.98
Rot. Bonds5

About N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide

N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide (PubChem CID 18411925) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide
PubChem CID18411925
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC NameN-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide
SMILESCN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CCN(CCc2ccccc2)C1
InChIInChI=1S/C24H34N2O/c1-25(22-8-10-26(17-22)9-7-18-5-3-2-4-6-18)23(27)24-14-19-11-20(15-24)13-21(12-19)16-24/h2-6,19-22H,7-17H2,1H3
InChIKeyDWXXTZOGUKUUED-UHFFFAOYSA-N
XLogP3.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide
CID 59915868
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-[(3S)-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methyladamantane-1-carboxamide;N-[1-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-phenyladamantane-1-carboxamide;N-methyl-N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide;N-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]bicyclo[2.2.1]hepta-2,5-diene-7-carboxamide;N-phenyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide
CID 161444610
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide
CID 45191222
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 91557912
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45198921
5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide
CID 25383007
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
CID 115918716
N-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-yl]adamantane-1-carboxamide
CID 22888129
(E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide
CID 45169944
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 45239167

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
The IUPAC name of N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide (CID 18411925) is N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
The canonical SMILES for N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide is CN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CCN(CCc2ccccc2)C1.
What is the InChIKey of N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
The InChIKey is DWXXTZOGUKUUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-25(22-8-10-26(17-22)9-7-18-5-3-2-4-6-18)23(27)24-14-19-11-20(15-24)13-21(12-19)16-24/h2-6,19-22H,7-17H2,1H3.
What are the key properties of N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide?
N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide has a molecular weight of 366.55 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 18411925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).