N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide

C28H34N2O3 — CID 3515679

IUPACN-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(C2CC3CN(C(=O)C4CCCC4)CCC3O2)c1
InChIInChI=1S/C28H34N2O3/c31-27(14-13-20-7-2-1-3-8-20)29-24-12-6-11-22(17-24)26-18-23-19-30(16-15-25(23)33-26)28(32)21-9-4-5-10-21/h1-3,6-8,11-12,17,21,23,25-26H,4-5,9-10,13-16,18-19H2,(H,29,31)
InChIKeyCSAFDGVTDNGAFB-UHFFFAOYSA-N
MW446.59 g/mol
LogP5.13
Rot. Bonds6

About N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide

N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide (PubChem CID 3515679) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide
PubChem CID3515679
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC NameN-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(C2CC3CN(C(=O)C4CCCC4)CCC3O2)c1
InChIInChI=1S/C28H34N2O3/c31-27(14-13-20-7-2-1-3-8-20)29-24-12-6-11-22(17-24)26-18-23-19-30(16-15-25(23)33-26)28(32)21-9-4-5-10-21/h1-3,6-8,11-12,17,21,23,25-26H,4-5,9-10,13-16,18-19H2,(H,29,31)
InChIKeyCSAFDGVTDNGAFB-UHFFFAOYSA-N
XLogP5.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(2S,3aR,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-2-chloroacetamide
CID 11903434
N-[3-[(2R,3aS,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]cyclopentanecarboxamide
CID 11894641
N-[3-[(2S,3aS,7aS)-5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-2,2-dichloroacetamide
CID 11903343
N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide
CID 5113847
N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 4038804
N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 3980973
N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide
CID 17222847
4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid
CID 68865260
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814565
N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837346
N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 25448307
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide (CID 3515679) is N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cccc(C2CC3CN(C(=O)C4CCCC4)CCC3O2)c1.
What is the InChIKey of N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide?
The InChIKey is CSAFDGVTDNGAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c31-27(14-13-20-7-2-1-3-8-20)29-24-12-6-11-22(17-24)26-18-23-19-30(16-15-25(23)33-26)28(32)21-9-4-5-10-21/h1-3,6-8,11-12,17,21,23,25-26H,4-5,9-10,13-16,18-19H2,(H,29,31).
What are the key properties of N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide?
N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide has a molecular weight of 446.59 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(cyclopentanecarbonyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 3515679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).