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

C17H24N2O2 — CID 102890824

IUPACN-(2-propan-2-yloxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1NCC2CCCC21
InChIInChI=1S/C17H24N2O2/c1-11(2)21-15-9-4-3-8-14(15)19-17(20)16-13-7-5-6-12(13)10-18-16/h3-4,8-9,11-13,16,18H,5-7,10H2,1-2H3,(H,19,20)
InChIKeyRBKRWHWXPZPWHM-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.80
Rot. Bonds4

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

N-(2-propan-2-yloxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102890824) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102890824
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(2-propan-2-yloxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)C1NCC2CCCC21
InChIInChI=1S/C17H24N2O2/c1-11(2)21-15-9-4-3-8-14(15)19-17(20)16-13-7-5-6-12(13)10-18-16/h3-4,8-9,11-13,16,18H,5-7,10H2,1-2H3,(H,19,20)
InChIKeyRBKRWHWXPZPWHM-UHFFFAOYSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-propan-2-yloxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide with MolForge

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Related Compounds

(2R)-N-(2-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 103795046
N-(4-fluoro-2-methylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890355
N-(2,5-difluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890193
N-[(2-methoxyphenyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890133
4-methyl-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55229769
N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119284707
N-(2,6-dimethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;hydrochloride
CID 174853204
N-(1H-indazol-7-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891325
4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150874
N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide
CID 82906619
methyl 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)benzoate
CID 102892643
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102890824) is N-(2-propan-2-yloxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is CC(C)Oc1ccccc1NC(=O)C1NCC2CCCC21.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is RBKRWHWXPZPWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)21-15-9-4-3-8-14(15)19-17(20)16-13-7-5-6-12(13)10-18-16/h3-4,8-9,11-13,16,18H,5-7,10H2,1-2H3,(H,19,20).
What are the key properties of N-(2-propan-2-yloxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-(2-propan-2-yloxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102890824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).