N-(1-benzylpyrrolidin-3-yl)adamantane-1-carboxamide

C22H30N2O — CID 18411849

IUPACN-(1-benzylpyrrolidin-3-yl)adamantane-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O/c25-21(22-11-17-8-18(12-22)10-19(9-17)13-22)23-20-6-7-24(15-20)14-16-4-2-1-3-5-16/h1-5,17-20H,6-15H2,(H,23,25)
InChIKeyDQGJCELNGPAFAU-UHFFFAOYSA-N
MW338.49 g/mol
LogP3.59
Rot. Bonds4

About N-(1-benzylpyrrolidin-3-yl)adamantane-1-carboxamide

N-(1-benzylpyrrolidin-3-yl)adamantane-1-carboxamide (PubChem CID 18411849) has the molecular formula C22H30N2O and a molecular weight of 338.49 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)adamantane-1-carboxamide
PubChem CID18411849
Molecular FormulaC22H30N2O
Molecular Weight338.49 g/mol
Exact Mass338.24
IUPAC NameN-(1-benzylpyrrolidin-3-yl)adamantane-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O/c25-21(22-11-17-8-18(12-22)10-19(9-17)13-22)23-20-6-7-24(15-20)14-16-4-2-1-3-5-16/h1-5,17-20H,6-15H2,(H,23,25)
InChIKeyDQGJCELNGPAFAU-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenethyladamantane-1-carboxamide
CID 2787235
(1r,4's)-3,4-Dihydro-2h-Spiro[naphthalene-1,3'-Pyrrolidin]-4'-Yl[(2s,4r)-2,4-Diphenylpiperidin-1-Yl]methanone
CID 54765328
D-phenylalanyl-N-benzyl-L-prolinamide
CID 25113125
Cyclohexanecarboxylic acid ((S)-1-phenethyl-pyrrolidin-2-ylmethyl)-amide
CID 10087023
(2R)-N-(adamantan-2-yl)-1-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 46888842
(2R)-N-(adamantan-2-yl)-1-[(3-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 46888843
3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide
CID 2882129
N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-phenylpropan-2-yl]adamantane-1-carboxamide;dihydrochloride
CID 10460034
N-2-adamantyl-3-phenylpropanamide
CID 874886
2-(1-adamantyl)-N-(4-fluorobenzyl)acetamide
CID 2850229
N~1~-2-adamantyl-N~2~-benzylglycinamide hydrochloride
CID 2941724
adamantanyl-N-(1-carbamoyl-2-phenylethyl)carboxamide
CID 2973493

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)adamantane-1-carboxamide (CID 18411849) is N-(1-benzylpyrrolidin-3-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)adamantane-1-carboxamide is O=C(NC1CCN(Cc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)adamantane-1-carboxamide?
The InChIKey is DQGJCELNGPAFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c25-21(22-11-17-8-18(12-22)10-19(9-17)13-22)23-20-6-7-24(15-20)14-16-4-2-1-3-5-16/h1-5,17-20H,6-15H2,(H,23,25).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)adamantane-1-carboxamide?
N-(1-benzylpyrrolidin-3-yl)adamantane-1-carboxamide has a molecular weight of 338.49 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)adamantane-1-carboxamide is sourced from PubChem (CID 18411849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).