N-[1-cyclohexyl-2-oxo-2-[2-(4-phenyl-4,5,6,7-tetrahydro-3H-indol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide

C30H42N4O2 — CID 71103833

IUPACN-[1-cyclohexyl-2-oxo-2-[2-(4-phenyl-4,5,6,7-tetrahydro-3H-indol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC(C(=O)N1CCCC1C1=NC2=C(C1)C(c1ccccc1)CCC2)C1CCCCC1
InChIInChI=1S/C30H42N4O2/c1-20(31-2)29(35)33-28(22-13-7-4-8-14-22)30(36)34-18-10-17-27(34)26-19-24-23(15-9-16-25(24)32-26)21-11-5-3-6-12-21/h3,5-6,11-12,20,22-23,27-28,31H,4,7-10,13-19H2,1-2H3,(H,33,35)
InChIKeyZJQORRXGDRQTCL-UHFFFAOYSA-N
MW490.69 g/mol
LogP4.72
Rot. Bonds7

About N-[1-cyclohexyl-2-oxo-2-[2-(4-phenyl-4,5,6,7-tetrahydro-3H-indol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide

N-[1-cyclohexyl-2-oxo-2-[2-(4-phenyl-4,5,6,7-tetrahydro-3H-indol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide (PubChem CID 71103833) has the molecular formula C30H42N4O2 and a molecular weight of 490.69 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-oxo-2-[2-(4-phenyl-4,5,6,7-tetrahydro-3H-indol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-oxo-2-[2-(4-phenyl-4,5,6,7-tetrahydro-3H-indol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide
PubChem CID71103833
Molecular FormulaC30H42N4O2
Molecular Weight490.69 g/mol
Exact Mass490.33
IUPAC NameN-[1-cyclohexyl-2-oxo-2-[2-(4-phenyl-4,5,6,7-tetrahydro-3H-indol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NC(C(=O)N1CCCC1C1=NC2=C(C1)C(c1ccccc1)CCC2)C1CCCCC1
InChIInChI=1S/C30H42N4O2/c1-20(31-2)29(35)33-28(22-13-7-4-8-14-22)30(36)34-18-10-17-27(34)26-19-24-23(15-9-16-25(24)32-26)21-11-5-3-6-12-21/h3,5-6,11-12,20,22-23,27-28,31H,4,7-10,13-19H2,1-2H3,(H,33,35)
InChIKeyZJQORRXGDRQTCL-UHFFFAOYSA-N
XLogP4.72
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.69
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-oxo-2-[2-(4-phenyl-4,5,6,7-tetrahydro-3H-indol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide?
The IUPAC name of N-[1-cyclohexyl-2-oxo-2-[2-(4-phenyl-4,5,6,7-tetrahydro-3H-indol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide (CID 71103833) is N-[1-cyclohexyl-2-oxo-2-[2-(4-phenyl-4,5,6,7-tetrahydro-3H-indol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-cyclohexyl-2-oxo-2-[2-(4-phenyl-4,5,6,7-tetrahydro-3H-indol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[1-cyclohexyl-2-oxo-2-[2-(4-phenyl-4,5,6,7-tetrahydro-3H-indol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide is CNC(C)C(=O)NC(C(=O)N1CCCC1C1=NC2=C(C1)C(c1ccccc1)CCC2)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-oxo-2-[2-(4-phenyl-4,5,6,7-tetrahydro-3H-indol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide?
The InChIKey is ZJQORRXGDRQTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O2/c1-20(31-2)29(35)33-28(22-13-7-4-8-14-22)30(36)34-18-10-17-27(34)26-19-24-23(15-9-16-25(24)32-26)21-11-5-3-6-12-21/h3,5-6,11-12,20,22-23,27-28,31H,4,7-10,13-19H2,1-2H3,(H,33,35).
What are the key properties of N-[1-cyclohexyl-2-oxo-2-[2-(4-phenyl-4,5,6,7-tetrahydro-3H-indol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide?
N-[1-cyclohexyl-2-oxo-2-[2-(4-phenyl-4,5,6,7-tetrahydro-3H-indol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide has a molecular weight of 490.69 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-oxo-2-[2-(4-phenyl-4,5,6,7-tetrahydro-3H-indol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide is sourced from PubChem (CID 71103833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).