N-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide

C20H30N2O2 — CID 75425842

IUPACN-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide
SMILESCC(=O)NC12CC3CC(C1)CC(C(=O)N1CC4CCCC4C1)(C3)C2
InChIInChI=1S/C20H30N2O2/c1-13(23)21-20-8-14-5-15(9-20)7-19(6-14,12-20)18(24)22-10-16-3-2-4-17(16)11-22/h14-17H,2-12H2,1H3,(H,21,23)
InChIKeyCILUUEFGHPNQTR-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.72
Rot. Bonds2

About N-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide

N-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide (PubChem CID 75425842) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide
PubChem CID75425842
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide
SMILESCC(=O)NC12CC3CC(C1)CC(C(=O)N1CC4CCCC4C1)(C3)C2
InChIInChI=1S/C20H30N2O2/c1-13(23)21-20-8-14-5-15(9-20)7-19(6-14,12-20)18(24)22-10-16-3-2-4-17(16)11-22/h14-17H,2-12H2,1H3,(H,21,23)
InChIKeyCILUUEFGHPNQTR-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide with MolForge

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Related Compounds

N-(3-acetamido-1-adamantyl)acetamide
CID 2817797
N-[(5R,7R)-3-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-adamantyl]acetamide
CID 98138286
N-[3-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-adamantyl]acetamide
CID 42944646
N-(3-hydroxy-1-adamantyl)acetamide
CID 2842792
N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide
CID 98051722
N-[(5S,7S)-3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1-adamantyl]acetamide
CID 98215004
(5S,7R)-3-acetamido-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]adamantane-1-carboxamide
CID 100892066
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1-adamantyl)methanone
CID 66212965
ethyl N-[[(5R,7R)-3-acetamidoadamantane-1-carbonyl]amino]carbamate
CID 98301742
3-acetamido-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide
CID 17480900
[2-[di(propan-2-yl)amino]-2-oxoethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate
CID 29345331
N-[3-(5-methoxy-2,3-dihydroindole-1-carbonyl)-1-adamantyl]acetamide
CID 75406097

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide?
The IUPAC name of N-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide (CID 75425842) is N-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide.
What is the SMILES notation for N-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide?
The canonical SMILES for N-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide is CC(=O)NC12CC3CC(C1)CC(C(=O)N1CC4CCCC4C1)(C3)C2.
What is the InChIKey of N-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide?
The InChIKey is CILUUEFGHPNQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-13(23)21-20-8-14-5-15(9-20)7-19(6-14,12-20)18(24)22-10-16-3-2-4-17(16)11-22/h14-17H,2-12H2,1H3,(H,21,23).
What are the key properties of N-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide?
N-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide has a molecular weight of 330.47 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1-adamantyl]acetamide is sourced from PubChem (CID 75425842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).