N-[2-(3-methylcyclohexyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C17H30N2O — CID 102893149

IUPACN-[2-(3-methylcyclohexyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCC1CCCC(CCNC(=O)C2NCC3CCCC32)C1
InChIInChI=1S/C17H30N2O/c1-12-4-2-5-13(10-12)8-9-18-17(20)16-15-7-3-6-14(15)11-19-16/h12-16,19H,2-11H2,1H3,(H,18,20)
InChIKeyFOAFVQDHIAKYRG-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.71
Rot. Bonds4

About N-[2-(3-methylcyclohexyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-[2-(3-methylcyclohexyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102893149) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[2-(3-methylcyclohexyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylcyclohexyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102893149
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[2-(3-methylcyclohexyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCC1CCCC(CCNC(=O)C2NCC3CCCC32)C1
InChIInChI=1S/C17H30N2O/c1-12-4-2-5-13(10-12)8-9-18-17(20)16-15-7-3-6-14(15)11-19-16/h12-16,19H,2-11H2,1H3,(H,18,20)
InChIKeyFOAFVQDHIAKYRG-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893774
N-(2-methoxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890092
N-[2-(3-methylcyclohexyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119323298
N-(1,3-dihydroxypropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893232
N-(2-methylpropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890096
N-(2-methylprop-2-enyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893920
N-(2-butoxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892280
7-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)heptanoic acid
CID 102892142
N-(3-cyanopropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892986
(2R,5S)-5-[2-(3-methylcyclohexyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102945305
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893686
2-hydroxy-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 103430075

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylcyclohexyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-[2-(3-methylcyclohexyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102893149) is N-[2-(3-methylcyclohexyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(3-methylcyclohexyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(3-methylcyclohexyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is CC1CCCC(CCNC(=O)C2NCC3CCCC32)C1.
What is the InChIKey of N-[2-(3-methylcyclohexyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is FOAFVQDHIAKYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12-4-2-5-13(10-12)8-9-18-17(20)16-15-7-3-6-14(15)11-19-16/h12-16,19H,2-11H2,1H3,(H,18,20).
What are the key properties of N-[2-(3-methylcyclohexyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-[2-(3-methylcyclohexyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 278.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylcyclohexyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102893149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).