1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide

C24H38N2O2 — CID 55469391

IUPAC1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide
SMILESCN(C(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C1CCCCCC1
InChIInChI=1S/C24H38N2O2/c1-25(20-7-4-2-3-5-8-20)22(27)21-9-6-10-26(21)23(28)24-14-17-11-18(15-24)13-19(12-17)16-24/h17-21H,2-16H2,1H3
InChIKeyMCYVWFQEAINKGF-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.38
Rot. Bonds3

About 1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide

1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide (PubChem CID 55469391) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide
PubChem CID55469391
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide
SMILESCN(C(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C1CCCCCC1
InChIInChI=1S/C24H38N2O2/c1-25(20-7-4-2-3-5-8-20)22(27)21-9-6-10-26(21)23(28)24-14-17-11-18(15-24)13-19(12-17)16-24/h17-21H,2-16H2,1H3
InChIKeyMCYVWFQEAINKGF-UHFFFAOYSA-N
XLogP4.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(adamantane-1-carbonyl)-N-cyclopropyl-N-methylpyrrolidine-2-carboxamide
CID 97060885
methyl (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 7439326
1-adamantyl-(2-methylpyrrolidin-1-yl)methanone
CID 110728183
[(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 124628785
[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56512274
[(2S)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 36713542
1-adamantyl-(2-methylpiperidin-1-yl)methanone
CID 2896597
1-(adamantane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 55343704
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 119402982
1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503305
1-(adamantane-1-carbonyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 112790475
1-(adamantane-1-carbonyl)-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119508361

Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide (CID 55469391) is 1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide is CN(C(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2)C1CCCCCC1.
What is the InChIKey of 1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide?
The InChIKey is MCYVWFQEAINKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-25(20-7-4-2-3-5-8-20)22(27)21-9-6-10-26(21)23(28)24-14-17-11-18(15-24)13-19(12-17)16-24/h17-21H,2-16H2,1H3.
What are the key properties of 1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide?
1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide has a molecular weight of 386.58 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 55469391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).