(3aR,6aS)-6a-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxamide

C20H28N2O3 — CID 167835535

IUPAC(3aR,6aS)-6a-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxamide
SMILESCO[C@]12CCC[C@@]1(C(=O)Nc1ccc(CN3CCCC3)cc1)CCO2
InChIInChI=1S/C20H28N2O3/c1-24-20-10-4-9-19(20,11-14-25-20)18(23)21-17-7-5-16(6-8-17)15-22-12-2-3-13-22/h5-8H,2-4,9-15H2,1H3,(H,21,23)/t19-,20-/m0/s1
InChIKeyWPMWMXGZJVPZHE-PMACEKPBSA-N
MW344.46 g/mol
LogP3.15
Rot. Bonds5

About (3aR,6aS)-6a-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxamide

(3aR,6aS)-6a-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxamide (PubChem CID 167835535) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3aR,6aS)-6a-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aS)-6a-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxamide
PubChem CID167835535
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name(3aR,6aS)-6a-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxamide
SMILESCO[C@]12CCC[C@@]1(C(=O)Nc1ccc(CN3CCCC3)cc1)CCO2
InChIInChI=1S/C20H28N2O3/c1-24-20-10-4-9-19(20,11-14-25-20)18(23)21-17-7-5-16(6-8-17)15-22-12-2-3-13-22/h5-8H,2-4,9-15H2,1H3,(H,21,23)/t19-,20-/m0/s1
InChIKeyWPMWMXGZJVPZHE-PMACEKPBSA-N
XLogP3.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 64894153
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
methyl 2-[4-(pyrrolidin-1-ylmethyl)anilino]butanoate
CID 115352542
N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950987
2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79813584
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 114327805
1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119901588
2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 81082842
methyl 2-[4-(pyrrolidin-1-ylmethyl)phenyl]acetate
CID 71405548
3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 60854515

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-6a-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxamide?
The IUPAC name of (3aR,6aS)-6a-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxamide (CID 167835535) is (3aR,6aS)-6a-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxamide.
What is the SMILES notation for (3aR,6aS)-6a-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxamide?
The canonical SMILES for (3aR,6aS)-6a-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxamide is CO[C@]12CCC[C@@]1(C(=O)Nc1ccc(CN3CCCC3)cc1)CCO2.
What is the InChIKey of (3aR,6aS)-6a-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxamide?
The InChIKey is WPMWMXGZJVPZHE-PMACEKPBSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-24-20-10-4-9-19(20,11-14-25-20)18(23)21-17-7-5-16(6-8-17)15-22-12-2-3-13-22/h5-8H,2-4,9-15H2,1H3,(H,21,23)/t19-,20-/m0/s1.
What are the key properties of (3aR,6aS)-6a-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxamide?
(3aR,6aS)-6a-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-6a-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxamide is sourced from PubChem (CID 167835535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).