N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide

C25H30N2O2 — CID 42342365

IUPACN-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
SMILESCC(C)N(C[C@@H]1CCC(=O)N1)C(=O)CC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C25H30N2O2/c1-17(2)27(16-20-13-14-24(28)26-20)25(29)15-23-21-9-5-3-7-18(21)11-12-19-8-4-6-10-22(19)23/h3-10,17,20,23H,11-16H2,1-2H3,(H,26,28)/t20-/m0/s1
InChIKeyWRPRGUROZLTBJK-FQEVSTJZSA-N
MW390.53 g/mol
LogP3.82
Rot. Bonds5

About N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide

N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide (PubChem CID 42342365) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
PubChem CID42342365
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
SMILESCC(C)N(C[C@@H]1CCC(=O)N1)C(=O)CC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C25H30N2O2/c1-17(2)27(16-20-13-14-24(28)26-20)25(29)15-23-21-9-5-3-7-18(21)11-12-19-8-4-6-10-22(19)23/h3-10,17,20,23H,11-16H2,1-2H3,(H,26,28)/t20-/m0/s1
InChIKeyWRPRGUROZLTBJK-FQEVSTJZSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide?
The IUPAC name of N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide (CID 42342365) is N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide.
What is the SMILES notation for N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide?
The canonical SMILES for N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide is CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)CC1c2ccccc2CCc2ccccc21.
What is the InChIKey of N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide?
The InChIKey is WRPRGUROZLTBJK-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-17(2)27(16-20-13-14-24(28)26-20)25(29)15-23-21-9-5-3-7-18(21)11-12-19-8-4-6-10-22(19)23/h3-10,17,20,23H,11-16H2,1-2H3,(H,26,28)/t20-/m0/s1.
What are the key properties of N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide?
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide has a molecular weight of 390.53 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide is sourced from PubChem (CID 42342365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).