(3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide

C20H28N2O2 — CID 146095411

IUPAC(3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide
SMILESO=C(NCC1CCCCC1c1ccccc1)N1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C20H28N2O2/c23-20(22-11-17-13-24-14-18(17)12-22)21-10-16-8-4-5-9-19(16)15-6-2-1-3-7-15/h1-3,6-7,16-19H,4-5,8-14H2,(H,21,23)/t16?,17-,18+,19?
InChIKeyLLQHSJQHYQEHRU-FXSDRFNOSA-N
MW328.46 g/mol
LogP3.25
Rot. Bonds3

About (3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide

(3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide (PubChem CID 146095411) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide
PubChem CID146095411
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide
SMILESO=C(NCC1CCCCC1c1ccccc1)N1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C20H28N2O2/c23-20(22-11-17-13-24-14-18(17)12-22)21-10-16-8-4-5-9-19(16)15-6-2-1-3-7-15/h1-3,6-7,16-19H,4-5,8-14H2,(H,21,23)/t16?,17-,18+,19?
InChIKeyLLQHSJQHYQEHRU-FXSDRFNOSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide with MolForge

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Related Compounds

1-[(2-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122016810
3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 122016808
1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122015491
2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide
CID 48634964
4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438789
3-cyclopropyl-4-oxo-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]imidazolidine-1-carboxamide
CID 164626725
4-(1,2-oxazol-3-yl)-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine-1-carboxamide
CID 138011509
N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 122139331
(3S,4R)-3-cyano-N-[(2,2-difluorocyclopentyl)methyl]-4-phenylpyrrolidine-1-carboxamide
CID 128626279
[(1R,2R)-2-(chloromethyl)cyclohexyl]benzene
CID 130762341
4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide
CID 86869244
(3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide
CID 97028910

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of (3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide (CID 146095411) is (3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for (3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for (3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide is O=C(NCC1CCCCC1c1ccccc1)N1C[C@H]2COC[C@H]2C1.
What is the InChIKey of (3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide?
The InChIKey is LLQHSJQHYQEHRU-FXSDRFNOSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-20(22-11-17-13-24-14-18(17)12-22)21-10-16-8-4-5-9-19(16)15-6-2-1-3-7-15/h1-3,6-7,16-19H,4-5,8-14H2,(H,21,23)/t16?,17-,18+,19?.
What are the key properties of (3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide?
(3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-N-[(2-phenylcyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 146095411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).