2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide

C29H28N2O2 — CID 43020655

IUPAC2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
SMILESO=C(Cc1ccc(N2CCCC2=O)cc1)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C29H28N2O2/c32-27(16-19-11-13-21(14-12-19)31-15-5-10-28(31)33)30-18-20-17-26-22-6-1-3-8-24(22)29(20)25-9-4-2-7-23(25)26/h1-4,6-9,11-14,20,26,29H,5,10,15-18H2,(H,30,32)
InChIKeyVUHBTZOVXRKWIS-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.77
Rot. Bonds5

About 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide

2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide (PubChem CID 43020655) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
PubChem CID43020655
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC Name2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
SMILESO=C(Cc1ccc(N2CCCC2=O)cc1)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C29H28N2O2/c32-27(16-19-11-13-21(14-12-19)31-15-5-10-28(31)33)30-18-20-17-26-22-6-1-3-8-24(22)29(20)25-9-4-2-7-23(25)26/h1-4,6-9,11-14,20,26,29H,5,10,15-18H2,(H,30,32)
InChIKeyVUHBTZOVXRKWIS-UHFFFAOYSA-N
XLogP4.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide with MolForge

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 111460220
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
N-(2,2-diphenylethyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26313258
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 17431388
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
2-(cyclopropylmethylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 119689613
2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 24555614
N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9451484
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157169
2-(2-methoxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 24655876
2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride
CID 119689610

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
The IUPAC name of 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide (CID 43020655) is 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide.
What is the SMILES notation for 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
The canonical SMILES for 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide is O=C(Cc1ccc(N2CCCC2=O)cc1)NCC1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
The InChIKey is VUHBTZOVXRKWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2/c32-27(16-19-11-13-21(14-12-19)31-15-5-10-28(31)33)30-18-20-17-26-22-6-1-3-8-24(22)29(20)25-9-4-2-7-23(25)26/h1-4,6-9,11-14,20,26,29H,5,10,15-18H2,(H,30,32).
What are the key properties of 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide has a molecular weight of 436.56 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide is sourced from PubChem (CID 43020655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).