(3aS,4R,6aS)-4-hydroxy-N-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-carboxamide

C16H21NO3 — CID 132566577

IUPAC(3aS,4R,6aS)-4-hydroxy-N-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-carboxamide
SMILESC[C@H](NC(=O)C1C[C@@H](O)[C@@H]2COC[C@H]12)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-10(11-5-3-2-4-6-11)17-16(19)12-7-15(18)14-9-20-8-13(12)14/h2-6,10,12-15,18H,7-9H2,1H3,(H,17,19)/t10-,12?,13+,14+,15+/m0/s1
InChIKeyWARIAMWSFVDPSO-MHVKIQEISA-N
MW275.35 g/mol
LogP1.51
Rot. Bonds3

About (3aS,4R,6aS)-4-hydroxy-N-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-carboxamide

(3aS,4R,6aS)-4-hydroxy-N-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-carboxamide (PubChem CID 132566577) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3aS,4R,6aS)-4-hydroxy-N-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-carboxamide.

Molecular Properties

Compound Name(3aS,4R,6aS)-4-hydroxy-N-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-carboxamide
PubChem CID132566577
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(3aS,4R,6aS)-4-hydroxy-N-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-carboxamide
SMILESC[C@H](NC(=O)C1C[C@@H](O)[C@@H]2COC[C@H]12)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-10(11-5-3-2-4-6-11)17-16(19)12-7-15(18)14-9-20-8-13(12)14/h2-6,10,12-15,18H,7-9H2,1H3,(H,17,19)/t10-,12?,13+,14+,15+/m0/s1
InChIKeyWARIAMWSFVDPSO-MHVKIQEISA-N
XLogP1.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aS,4R,6aS)-4-hydroxy-N-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-carboxamide with MolForge

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Related Compounds

cis-(1R,2R)-2-ethyl-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 134523880
cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide
CID 134523878
1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109135625
(1R,2R,3R,4S)-2-N,3-N-bis(1-phenylethyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 101191099
3,4-dimethyl-6-(1-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 23910468
2-(morpholine-4-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 109133281
(1S,6R)-6-(1-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 103710093
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3272708
4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide
CID 66265793
4-[[(1S)-1-phenylethyl]amino]oxolane-3-carboxylic acid
CID 175965674
2-N-[1-(4-phenylphenyl)ethyl]cyclobutane-1,2-dicarboxamide
CID 167814895

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,6aS)-4-hydroxy-N-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-carboxamide?
The IUPAC name of (3aS,4R,6aS)-4-hydroxy-N-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-carboxamide (CID 132566577) is (3aS,4R,6aS)-4-hydroxy-N-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-carboxamide.
What is the SMILES notation for (3aS,4R,6aS)-4-hydroxy-N-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-carboxamide?
The canonical SMILES for (3aS,4R,6aS)-4-hydroxy-N-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-carboxamide is C[C@H](NC(=O)C1C[C@@H](O)[C@@H]2COC[C@H]12)c1ccccc1.
What is the InChIKey of (3aS,4R,6aS)-4-hydroxy-N-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-carboxamide?
The InChIKey is WARIAMWSFVDPSO-MHVKIQEISA-N. The full InChI is InChI=1S/C16H21NO3/c1-10(11-5-3-2-4-6-11)17-16(19)12-7-15(18)14-9-20-8-13(12)14/h2-6,10,12-15,18H,7-9H2,1H3,(H,17,19)/t10-,12?,13+,14+,15+/m0/s1.
What are the key properties of (3aS,4R,6aS)-4-hydroxy-N-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-carboxamide?
(3aS,4R,6aS)-4-hydroxy-N-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6aS)-4-hydroxy-N-[(1S)-1-phenylethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-carboxamide is sourced from PubChem (CID 132566577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).