N-[(2S,4R,4aS,7aR)-2-ethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide

C14H25NO2 — CID 110133829

IUPACN-[(2S,4R,4aS,7aR)-2-ethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide
SMILESCC[C@H]1C[C@@H](NC(=O)C(C)C)[C@@H]2CCC[C@H]2O1
InChIInChI=1S/C14H25NO2/c1-4-10-8-12(15-14(16)9(2)3)11-6-5-7-13(11)17-10/h9-13H,4-8H2,1-3H3,(H,15,16)/t10-,11-,12+,13+/m0/s1
InChIKeyMURYVDXOJKTPJB-WUHRBBMRSA-N
MW239.36 g/mol
LogP2.49
Rot. Bonds3

About N-[(2S,4R,4aS,7aR)-2-ethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide

N-[(2S,4R,4aS,7aR)-2-ethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide (PubChem CID 110133829) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(2S,4R,4aS,7aR)-2-ethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S,4R,4aS,7aR)-2-ethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide
PubChem CID110133829
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[(2S,4R,4aS,7aR)-2-ethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide
SMILESCC[C@H]1C[C@@H](NC(=O)C(C)C)[C@@H]2CCC[C@H]2O1
InChIInChI=1S/C14H25NO2/c1-4-10-8-12(15-14(16)9(2)3)11-6-5-7-13(11)17-10/h9-13H,4-8H2,1-3H3,(H,15,16)/t10-,11-,12+,13+/m0/s1
InChIKeyMURYVDXOJKTPJB-WUHRBBMRSA-N
XLogP2.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S,4R,4aS,7aR)-2-ethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide with MolForge

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Related Compounds

N-[(2S,4R,6S)-2-cyclohexyl-6-propyloxan-4-yl]acetamide
CID 164631026
N-[(2R*,4S*,6R*)-2-cyclohexyl-6-propyltetrahydro-2H-pyran-4-yl]acetamide
CID 50980440
N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide;ethane
CID 142437297
N-[(4S,6R)-2-cyclohexyl-6-propyloxan-4-yl]acetamide
CID 142437298
4-propan-2-yl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[e][1,3]oxazin-2-one
CID 14271710
N-(6-oxaspiro[4.5]decan-9-yl)acetamide
CID 51358620
N-(2-cyclohexyloxan-4-yl)acetamide
CID 53487780
2-methyl-N-[2-[(2-propan-2-yloxan-4-yl)amino]ethyl]propanamide
CID 64099964
N-butan-2-yl-3-[(2-propan-2-yloxan-4-yl)amino]propanamide
CID 64103660
3-[(2-propan-2-yloxan-4-yl)amino]-N-propylpropanamide
CID 64103702
N-(2-pentan-3-yloxan-4-yl)cyclopentanecarboxamide
CID 75401278
3-cyclopentyl-N-(2-cyclopropyloxan-4-yl)propanamide
CID 75458056

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,4aS,7aR)-2-ethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide?
The IUPAC name of N-[(2S,4R,4aS,7aR)-2-ethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide (CID 110133829) is N-[(2S,4R,4aS,7aR)-2-ethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S,4R,4aS,7aR)-2-ethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2S,4R,4aS,7aR)-2-ethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide is CC[C@H]1C[C@@H](NC(=O)C(C)C)[C@@H]2CCC[C@H]2O1.
What is the InChIKey of N-[(2S,4R,4aS,7aR)-2-ethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide?
The InChIKey is MURYVDXOJKTPJB-WUHRBBMRSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-10-8-12(15-14(16)9(2)3)11-6-5-7-13(11)17-10/h9-13H,4-8H2,1-3H3,(H,15,16)/t10-,11-,12+,13+/m0/s1.
What are the key properties of N-[(2S,4R,4aS,7aR)-2-ethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide?
N-[(2S,4R,4aS,7aR)-2-ethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide has a molecular weight of 239.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,4aS,7aR)-2-ethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide is sourced from PubChem (CID 110133829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).