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

C16H28N2O2 — CID 102891722

IUPACN-cyclohexyl-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESO=C(C1NCC2CCCC21)N(CCO)C1CCCCC1
InChIInChI=1S/C16H28N2O2/c19-10-9-18(13-6-2-1-3-7-13)16(20)15-14-8-4-5-12(14)11-17-15/h12-15,17,19H,1-11H2
InChIKeyAHCUETPSRSPGPP-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.53
Rot. Bonds4

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

N-cyclohexyl-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102891722) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-cyclohexyl-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102891722
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-cyclohexyl-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESO=C(C1NCC2CCCC21)N(CCO)C1CCCCC1
InChIInChI=1S/C16H28N2O2/c19-10-9-18(13-6-2-1-3-7-13)16(20)15-14-8-4-5-12(14)11-17-15/h12-15,17,19H,1-11H2
InChIKeyAHCUETPSRSPGPP-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopentyl)amino]acetic acid
CID 102892216
N-cyclohexyl-N-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890287
3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid
CID 102892187
N-cyclopropyl-N-(3-methylbutyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891689
2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cycloocta[c]pyrrole-3-carboxylic acid
CID 163706670
N-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890568
(1R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-1-carboxylic acid
CID 45082692
(3R,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid
CID 13232017
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 54994642
N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 54870885
N-cyclohexyl-N-(2-hydroxyethyl)-3-methylpiperidine-2-carboxamide
CID 55060417
N-(2-methoxyethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892028

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102891722) is N-cyclohexyl-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is O=C(C1NCC2CCCC21)N(CCO)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is AHCUETPSRSPGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c19-10-9-18(13-6-2-1-3-7-13)16(20)15-14-8-4-5-12(14)11-17-15/h12-15,17,19H,1-11H2.
What are the key properties of N-cyclohexyl-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-cyclohexyl-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102891722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).