N-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide

C32H40N2O4 — CID 11562621

IUPACN-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
SMILESCCC(=O)NCC[C@@H]1CCc2cc(C3C[C@@H](CCNC(=O)CC)c4c3ccc3c4CCO3)c3c(c21)CCO3
InChIInChI=1S/C32H40N2O4/c1-3-28(35)33-13-9-19-5-6-20-18-26(32-24(30(19)20)12-16-38-32)25-17-21(10-14-34-29(36)4-2)31-22(25)7-8-27-23(31)11-15-37-27/h7-8,18-19,21,25H,3-6,9-17H2,1-2H3,(H,33,35)(H,34,36)/t19-,21+,25?/m0/s1
InChIKeyZBDLGWKZIULXAP-IMFNMPFLSA-N
MW516.68 g/mol
LogP5.04
Rot. Bonds9

About N-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide

N-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide (PubChem CID 11562621) has the molecular formula C32H40N2O4 and a molecular weight of 516.68 g/mol. Its IUPAC name is N-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
PubChem CID11562621
Molecular FormulaC32H40N2O4
Molecular Weight516.68 g/mol
Exact Mass516.30
IUPAC NameN-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
SMILESCCC(=O)NCC[C@@H]1CCc2cc(C3C[C@@H](CCNC(=O)CC)c4c3ccc3c4CCO3)c3c(c21)CCO3
InChIInChI=1S/C32H40N2O4/c1-3-28(35)33-13-9-19-5-6-20-18-26(32-24(30(19)20)12-16-38-32)25-17-21(10-14-34-29(36)4-2)31-22(25)7-8-27-23(31)11-15-37-27/h7-8,18-19,21,25H,3-6,9-17H2,1-2H3,(H,33,35)(H,34,36)/t19-,21+,25?/m0/s1
InChIKeyZBDLGWKZIULXAP-IMFNMPFLSA-N
XLogP5.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.68
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide?
The IUPAC name of N-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide (CID 11562621) is N-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide is CCC(=O)NCC[C@@H]1CCc2cc(C3C[C@@H](CCNC(=O)CC)c4c3ccc3c4CCO3)c3c(c21)CCO3.
What is the InChIKey of N-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide?
The InChIKey is ZBDLGWKZIULXAP-IMFNMPFLSA-N. The full InChI is InChI=1S/C32H40N2O4/c1-3-28(35)33-13-9-19-5-6-20-18-26(32-24(30(19)20)12-16-38-32)25-17-21(10-14-34-29(36)4-2)31-22(25)7-8-27-23(31)11-15-37-27/h7-8,18-19,21,25H,3-6,9-17H2,1-2H3,(H,33,35)(H,34,36)/t19-,21+,25?/m0/s1.
What are the key properties of N-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide?
N-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide has a molecular weight of 516.68 g/mol, XLogP of 5.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(8S)-4-[(8S)-8-[2-(propanoylamino)ethyl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-6-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide is sourced from PubChem (CID 11562621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).