N-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide

C15H21NO3 — CID 164632647

IUPACN-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NC[C@@]12CCC[C@@H]1OCC2
InChIInChI=1S/C15H21NO3/c17-14(6-5-12-3-2-9-18-12)16-11-15-7-1-4-13(15)19-10-8-15/h2-3,9,13H,1,4-8,10-11H2,(H,16,17)/t13-,15-/m0/s1
InChIKeyRVLXWLRJOZPGSX-ZFWWWQNUSA-N
MW263.34 g/mol
LogP2.29
Rot. Bonds5

About N-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide

N-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide (PubChem CID 164632647) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide
PubChem CID164632647
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NC[C@@]12CCC[C@@H]1OCC2
InChIInChI=1S/C15H21NO3/c17-14(6-5-12-3-2-9-18-12)16-11-15-7-1-4-13(15)19-10-8-15/h2-3,9,13H,1,4-8,10-11H2,(H,16,17)/t13-,15-/m0/s1
InChIKeyRVLXWLRJOZPGSX-ZFWWWQNUSA-N
XLogP2.29
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide with MolForge

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Related Compounds

N-(3-cyclopentyl-3-oxopropyl)-3-(furan-2-yl)propanamide
CID 58762649
3-(furan-2-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]propanamide
CID 129000871
3-(furan-2-yl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64928523
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-3-(furan-2-yl)propanamide
CID 55890019
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702
3-(furan-2-yl)-N-(2-oxopropyl)propanamide
CID 64996773
1-cyclobutyl-3-(furan-2-yl)propan-1-one
CID 105133720
2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 64813064
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
3-(furan-2-yl)-N-(6-iodohexyl)propanamide
CID 107848207
N-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide
CID 113275468

Frequently Asked Questions

What is the IUPAC name of N-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide (CID 164632647) is N-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)NC[C@@]12CCC[C@@H]1OCC2.
What is the InChIKey of N-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide?
The InChIKey is RVLXWLRJOZPGSX-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H21NO3/c17-14(6-5-12-3-2-9-18-12)16-11-15-7-1-4-13(15)19-10-8-15/h2-3,9,13H,1,4-8,10-11H2,(H,16,17)/t13-,15-/m0/s1.
What are the key properties of N-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide?
N-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide has a molecular weight of 263.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 164632647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).