2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide

C22H29N3O2 — CID 23328167

IUPAC2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)/C(=N/NC(=O)Cc1ccc(N3CCCC3=O)cc1)C2
InChIInChI=1S/C22H29N3O2/c1-21(2)16-10-11-22(21,3)18(14-16)23-24-19(26)13-15-6-8-17(9-7-15)25-12-4-5-20(25)27/h6-9,16H,4-5,10-14H2,1-3H3,(H,24,26)/b23-18+/t16-,22-/m0/s1
InChIKeyNBJLXJLHVVSFMN-WUTRLJQJSA-N
MW367.49 g/mol
LogP3.67
Rot. Bonds4

About 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide

2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide (PubChem CID 23328167) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide.

Molecular Properties

Compound Name2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
PubChem CID23328167
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)/C(=N/NC(=O)Cc1ccc(N3CCCC3=O)cc1)C2
InChIInChI=1S/C22H29N3O2/c1-21(2)16-10-11-22(21,3)18(14-16)23-24-19(26)13-15-6-8-17(9-7-15)25-12-4-5-20(25)27/h6-9,16H,4-5,10-14H2,1-3H3,(H,24,26)/b23-18+/t16-,22-/m0/s1
InChIKeyNBJLXJLHVVSFMN-WUTRLJQJSA-N
XLogP3.67
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 23327872
2-chloro-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
CID 584224
2-(1H-indol-3-yl)-N-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 9370713
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
CID 75616266
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
CID 52989015
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 23328123
N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 23350614
N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 111460220
tert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate
CID 9372150
3-(3-oxo-1,4-benzothiazin-4-yl)-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]propanamide
CID 23328075
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]butanamide
CID 23327980
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9303488

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide?
The IUPAC name of 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide (CID 23328167) is 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide.
What is the SMILES notation for 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide?
The canonical SMILES for 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide is CC1(C)[C@H]2CC[C@@]1(C)/C(=N/NC(=O)Cc1ccc(N3CCCC3=O)cc1)C2.
What is the InChIKey of 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide?
The InChIKey is NBJLXJLHVVSFMN-WUTRLJQJSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-21(2)16-10-11-22(21,3)18(14-16)23-24-19(26)13-15-6-8-17(9-7-15)25-12-4-5-20(25)27/h6-9,16H,4-5,10-14H2,1-3H3,(H,24,26)/b23-18+/t16-,22-/m0/s1.
What are the key properties of 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide?
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide has a molecular weight of 367.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide is sourced from PubChem (CID 23328167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).